data_1j0g_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 1j0g _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -123.84 171.11 9.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.564 HG12 ' CE1' ' A' ' 74' ' ' PHE . 5.2 m -145.55 120.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.4 p -96.28 149.62 21.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 36' ' ' PHE . 2.3 m-85 -125.45 149.2 48.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.33 96.4 4.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.19 136.68 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 m -116.26 137.26 52.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 tp -72.54 109.74 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.8 p -90.18 37.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.8 p -113.84 -35.05 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.67 154.87 37.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.43 9.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 mtm105 -95.96 -23.88 16.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.341 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.18 69.25 2.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.28 34.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -125.07 161.54 26.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.21 129.2 8.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 t -91.61 116.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 29' ' ' SER . 25.9 tp -97.66 159.03 15.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.431 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 92.8 p -141.45 117.98 10.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.431 ' CG1' ' C ' ' A' ' 29' ' ' SER . 1.3 m -150.79 160.85 31.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.97 121.32 6.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' PRO . 7.7 pt-20 -37.22 -46.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' GLU . 8.9 t -38.06 -38.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 2.4 m -66.4 146.63 99.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.96 134.25 17.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.462 ' CB ' HG12 ' A' ' 73' ' ' VAL . 3.9 t80 -58.83 -14.87 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.47 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -65.02 -30.72 71.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.46 -36.4 68.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.6 t -51.56 -32.96 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 56' ' ' ILE . 0.6 OUTLIER -62.05 -66.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -42.37 -48.41 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.74 -55.1 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.7 -22.74 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -77.65 -72.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.35 -33.8 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.51 -39.88 74.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -96.11 8.97 42.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 60.95 41.35 14.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 26.9 m -114.89 157.54 42.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.91 13.72 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.432 1.754 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.51 46.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.51 -49.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.7 p -104.45 39.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.95 149.98 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.25 152.2 16.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.432 ' CD1' HD21 ' A' ' 40' ' ' LEU . 6.7 mt -97.48 136.35 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.2 pt -131.42 168.97 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.3 p -85.73 -170.21 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -93.82 27.77 2.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.21 19.22 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.65 21.36 60.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.5 mt -103.9 137.83 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.52 -170.17 7.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.412 HG21 ' NE2' ' A' ' 77' ' ' HIS . 65.2 mt -138.36 144.92 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.451 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 50.1 m-80 -116.45 107.19 47.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.04 51.69 2.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.09 20.04 7.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER -162.69 171.27 17.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.5 p -56.67 145.15 29.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.5 -41.06 28.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.531 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -60.01 -23.35 59.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -94.94 -17.59 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.462 HG12 ' CB ' ' A' ' 36' ' ' PHE . 68.8 t -91.21 -46.27 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CE1' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.31 -14.25 62.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.8 tp -91.31 -51.15 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -64.94 -41.96 95.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.43 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 94.4 m-70 -88.24 -49.11 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 127.11 178.33 15.27 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 p -94.28 -46.65 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -72.95 102.6 3.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.0 173.63 11.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 145.35 51.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.6 tt -95.44 118.0 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -116.78 156.87 47.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.57 30.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.447 1.762 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -132.99 177.44 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.561 HG13 ' CE1' ' A' ' 74' ' ' PHE . 15.4 m -149.21 132.64 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -101.74 139.96 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -119.61 119.97 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -98.41 96.05 7.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 mt -112.69 148.24 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.9 m -126.01 106.77 9.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -50.4 116.79 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.418 HG23 ' CZ ' ' A' ' 82' ' ' ARG . 49.1 p -100.71 104.47 15.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.37 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 p -175.77 -73.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.6 156.16 89.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.11 4.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.77 -50.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 mp 64.0 65.25 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.44 42.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -125.9 155.45 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -145.3 139.01 26.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.4 104.26 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.544 HD12 ' CD1' ' A' ' 42' ' ' PHE . 23.7 tp -92.46 160.64 14.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.41 121.27 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.66 157.39 38.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.01 7.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' THR . 11.9 pt-20 -39.02 -45.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' GLU . 37.1 p -38.86 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 15.6 m -79.62 145.08 62.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.362 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.0 131.31 14.15 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.519 ' CG ' HG11 ' A' ' 73' ' ' VAL . 3.9 t80 -50.07 -23.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.66 -25.53 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.454 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.05 49.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.4 t -56.59 -62.41 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -45.81 -46.06 15.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' HD13 ' A' ' 40' ' ' LEU . 20.5 mttm -61.09 -42.98 99.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.544 ' CD1' HD12 ' A' ' 28' ' ' LEU . 1.4 t80 -67.19 -53.01 34.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.54 -37.31 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -60.45 -51.6 68.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -61.72 -16.52 49.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -37.58 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.406 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 44.7 m-85 -94.87 25.7 3.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 42.33 48.16 4.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 34.8 m -130.58 157.52 77.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.97 22.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.68 49.17 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.02 -49.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 p -93.86 36.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.1 p -129.45 157.83 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ILE . . . -161.87 152.31 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 74.1 mt -118.06 140.62 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 pt -136.59 179.31 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.5 p -98.43 -166.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -95.13 37.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.37 20.06 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.9 55.95 21.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.969 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.5 mt -119.89 -140.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -161.87 121.57 1.03 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.57 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 59.1 mt -66.17 146.91 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -116.18 106.84 48.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 51.81 2.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.49 -25.67 23.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.3 pm0 -119.99 167.85 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.5 p -51.15 148.55 4.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.49 -48.06 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -58.1 -22.9 50.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -95.4 -16.02 22.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.519 HG11 ' CG ' ' A' ' 36' ' ' PHE . 74.6 t -92.11 -46.28 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.561 ' CE1' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.02 -11.04 60.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.68 -45.14 8.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -74.51 -27.39 60.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 64' ' ' ILE . 96.8 m-70 -102.27 -51.58 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.639 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.92 176.24 14.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.19 -33.64 15.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -83.87 105.01 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.91 166.24 25.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' CZ ' HG23 ' A' ' 18' ' ' THR . 35.6 mtp85 -119.09 135.75 54.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.3 tt -96.7 126.31 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' ALA . 2.0 pp -121.2 156.82 56.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.47 9.33 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -113.8 161.2 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.603 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 27.2 m -135.81 136.17 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 p -105.85 127.28 53.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.612 ' CE2' ' CE2' ' A' ' 36' ' ' PHE . 4.3 m-85 -100.25 121.72 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.77 95.33 7.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -120.73 154.97 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -129.61 133.17 47.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.86 139.67 55.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 19' ' ' SER . 7.7 p -127.77 115.88 19.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 18' ' ' THR . 2.1 p 165.14 -31.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.04 154.14 45.11 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 55.64 3.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.6 -45.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 4.0 mm? 61.75 64.48 1.96 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -74.98 138.95 23.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -123.56 152.22 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.23 137.35 9.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 m -96.77 122.37 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 29' ' ' SER . 0.3 OUTLIER -98.58 125.72 43.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.411 ' N ' HD22 ' A' ' 28' ' ' LEU . 4.6 t -100.31 117.06 33.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 m -142.23 160.86 53.31 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.06 21.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' SER . 45.0 mt-10 -48.43 -57.52 5.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' GLU . 22.9 t -36.65 -59.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 3.8 m -43.68 145.72 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.05 146.34 32.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.612 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 4.3 t80 -66.76 -20.4 65.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 38' ' ' ALA . 5.4 t -58.12 -35.56 71.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.433 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' N ' HG23 ' A' ' 37' ' ' THR . . . -66.25 -41.53 89.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 97.2 t -48.04 -30.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.74 -64.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -51.44 -52.87 42.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.23 -60.28 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 39' ' ' VAL . . . -48.63 -45.11 37.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.471 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -49.62 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -43.68 -48.94 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -52.45 59.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -76.49 -3.95 40.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mttm 58.65 67.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 2.5 m -135.46 160.4 68.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 142.29 27.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.03 52.76 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.32 -52.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.4 p -102.08 52.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.5 p -140.9 137.26 33.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' ILE . . . -163.16 144.79 9.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.1 mt -107.23 133.9 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 2.9 pt -134.41 171.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 p -83.28 -169.33 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -96.32 34.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.66 27.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.61 78.98 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.502 ' O ' ' CG2' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -144.77 -147.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.758 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.68 113.67 0.58 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.441 ' CG2' HG11 ' A' ' 73' ' ' VAL . 35.9 mt -59.52 142.96 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -107.61 106.51 58.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 51.7 2.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.17 -32.32 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.459 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.05 174.67 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASN . 31.8 p -60.54 151.26 29.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.24 -51.57 18.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.552 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.47 -22.22 37.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' THR . 80.1 m-20 -95.03 -15.83 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 68.9 t -93.58 -46.18 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.603 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.45 -15.3 62.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 3.3 tp -89.31 -48.85 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.536 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -65.7 -43.33 89.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.536 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 92.1 m-70 -86.7 -49.77 7.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.497 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 126.34 178.71 15.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.5 p -99.91 8.19 44.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 81' ' ' LEU . 7.5 mt-10 -119.45 106.69 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -147.24 170.74 16.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -125.23 142.52 51.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 7.5 tt -96.31 110.63 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.9 pp -104.66 156.6 35.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 112.43 3.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.556 1.819 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -126.27 153.87 44.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.565 HG12 ' CE1' ' A' ' 74' ' ' PHE . 9.7 m -118.96 125.77 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.5 p -98.77 126.51 44.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' CE2' ' A' ' 36' ' ' PHE . 5.2 m-85 -101.16 167.31 10.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.12 99.92 3.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -118.91 153.21 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -138.73 140.92 38.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD12 ' CD1' ' A' ' 47' ' ' PHE . 2.5 tp -65.81 138.82 58.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.9 p -103.55 -35.06 8.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.457 ' HG ' ' N ' ' A' ' 20' ' ' ASP . 10.9 t -57.22 -87.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.457 ' N ' ' HG ' ' A' ' 19' ' ' SER . 3.9 m-20 -47.36 157.12 0.56 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -75.0 -165.72 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 69.6 -58.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 78.75 71.99 0.17 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.71 30.7 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -131.66 156.43 45.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' NZ ' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -155.05 130.66 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 t -98.33 121.92 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD23 ' CD1' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -93.25 162.78 13.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.46 109.52 5.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.96 161.96 45.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.97 122.38 7.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' PRO . 14.8 pt-20 -36.64 -46.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t -43.47 -48.79 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -56.66 146.26 57.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.92 158.76 42.31 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.584 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 2.1 t80 -79.31 -9.15 59.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 t -69.93 -35.93 74.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.18 -21.16 56.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.2 t -68.07 -43.77 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 tt -49.52 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -45.33 -58.97 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.554 ' CD1' HD23 ' A' ' 28' ' ' LEU . 1.3 t80 -48.51 -47.06 39.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -58.72 -70.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.18 -35.74 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.45 -46.68 88.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -62.86 -47.99 80.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.504 ' CD1' HD12 ' A' ' 17' ' ' LEU . 39.1 m-85 -65.43 -16.42 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 71.56 62.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.37 161.25 39.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.48 12.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.45 -13.23 57.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.64 81.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 p -118.28 37.99 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 p -121.34 155.91 33.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 84' ' ' ILE . . . -162.5 151.27 14.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.1 mt -116.14 139.72 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.3 pt -142.11 170.05 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.457 HG22 ' CD2' ' A' ' 81' ' ' LEU . 71.8 p -103.26 -166.32 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 1.7 m-20 -72.42 153.94 41.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 7.1 t0 84.82 -48.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.96 55.98 0.11 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.8 mm -119.61 122.39 68.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.42 -163.85 2.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.553 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 7.4 mt -135.9 145.37 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.71 103.57 55.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.63 2.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.97 -21.95 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -121.71 171.7 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 72' ' ' ASN . 67.8 p -59.42 151.98 22.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.32 -48.14 25.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.46 -23.91 50.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' THR . 43.5 m-20 -95.27 -14.16 24.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.496 HG12 ' CG ' ' A' ' 36' ' ' PHE . 75.7 t -93.7 -45.55 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CE1' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.63 -14.06 61.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.9 tp -90.14 -40.84 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.5 OUTLIER -74.51 -41.64 60.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.553 ' CE1' ' HA ' ' A' ' 64' ' ' ILE . 96.0 m-70 -90.32 -50.49 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 129.83 -169.83 20.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 p -102.31 -34.11 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -83.62 104.83 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 58' ' ' THR . 0.8 OUTLIER -136.82 165.97 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -121.23 139.83 52.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.466 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 3.1 tt -96.95 112.1 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.2 pp -111.06 156.5 40.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.79 8.14 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.506 1.792 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -109.98 166.8 10.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.569 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 6.1 m -135.53 124.0 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.2 p -91.02 135.03 34.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' A' ' 11' ' ' VAL . 4.2 m-85 -114.25 125.34 53.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.9 95.43 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mt -110.45 159.2 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -134.7 137.07 43.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.441 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 tp -81.77 122.58 27.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.5 p -104.86 68.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.2 p -139.5 -70.12 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.98 153.55 86.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.56 5.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.53 -47.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.7 OUTLIER 66.93 64.43 0.76 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -74.94 127.79 11.01 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 5.1 p90 -80.64 153.11 28.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -131.66 143.87 50.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 t -133.45 98.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 42' ' ' PHE . 26.2 tp -97.54 149.27 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.58 111.67 15.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.83 160.96 62.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.99 126.34 9.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' PRO . 12.1 pt-20 -35.36 -47.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.79 -56.88 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -44.76 141.84 2.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.71 35.78 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CE2' ' CD2' ' A' ' 13' ' ' PHE . 2.5 t80 -71.84 -8.51 54.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 t -69.98 -35.27 74.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.64 -33.39 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.39 -47.4 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -48.59 -59.53 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -62.43 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.4 t80 -43.0 -52.13 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 -61.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' PHE . . . -42.07 -66.46 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.31 -34.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CB ' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -71.96 -43.59 64.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 26' ' ' LYS . 8.9 m-85 -83.41 9.61 10.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.18 73.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.2 163.95 22.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.6 10.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.43 49.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.66 -49.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.3 p -95.89 48.09 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -135.29 164.9 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.54 153.36 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.463 HG22 ' CD1' ' A' ' 64' ' ' ILE . 54.2 mt -115.55 143.85 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 pt -147.55 173.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.8 p -104.76 166.03 10.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 71.6 m-80 -65.41 87.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER 159.3 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.68 -35.14 3.39 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.5 mm -46.47 132.27 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.23 -166.56 41.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.567 HG22 ' CD2' ' A' ' 77' ' ' HIS . 39.4 mt -133.76 145.85 32.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -119.84 114.07 34.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 51.7 2.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.86 -27.74 30.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.448 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -117.42 177.29 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 32.4 p -63.94 158.81 21.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -51.07 -53.6 32.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.569 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.8 -20.53 33.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -94.91 -17.25 22.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.448 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 42.3 t -93.92 -45.86 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -69.34 -13.05 62.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.072 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.28 -46.13 8.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -68.19 -42.08 80.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.567 ' CD2' HG22 ' A' ' 64' ' ' ILE . 92.1 m-70 -89.72 -48.61 7.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.52 -178.25 16.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 p -101.45 3.89 40.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.411 ' O ' ' CD2' ' A' ' 81' ' ' LEU . 49.9 mt-10 -118.86 108.65 15.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.411 ' CD2' ' O ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -146.74 -177.05 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 146.26 49.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.464 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 6.3 tt -103.94 109.07 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.22 154.77 41.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 134.87 18.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -132.5 172.29 12.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.559 HG11 ' CE1' ' A' ' 74' ' ' PHE . 17.7 m -146.92 127.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.19 124.3 47.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.04 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.442 ' CD2' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -103.52 130.91 51.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -95.84 95.37 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -109.78 151.16 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.464 ' CG2' HD11 ' A' ' 23' ' ' LEU . 1.3 m -131.71 114.44 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.5 tp -61.02 131.07 49.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.2 p -128.89 60.89 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 20' ' ' ASP . 59.8 p -147.97 56.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 19' ' ' SER . 0.4 OUTLIER 163.4 172.15 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.1 Cg_endo -75.0 56.5 4.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -172.83 158.24 3.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.464 HD11 ' CG2' ' A' ' 16' ' ' THR . 2.7 mm? -133.15 66.5 75.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.29 30.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -123.47 153.18 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' CE ' ' HA ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -160.47 133.86 6.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.9 m -100.18 121.78 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.531 HD11 ' CD1' ' A' ' 42' ' ' PHE . 6.7 tp -103.26 124.62 48.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.71 121.92 44.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 m -141.4 158.25 64.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.9 8.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' THR . 17.1 pt-20 -39.07 -44.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' GLU . 6.2 t -38.47 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 2.4 m -86.65 146.58 41.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.478 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.5 Cg_endo -74.95 142.59 28.19 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CG ' HG11 ' A' ' 73' ' ' VAL . 6.9 t80 -59.74 -13.92 12.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.466 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.2 t -68.15 -29.27 68.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.52 -27.12 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.418 HG21 ' CE1' ' A' ' 13' ' ' PHE . 69.9 t -62.01 -45.1 99.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.82 -66.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -59.59 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.531 ' CD1' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -49.32 -59.51 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -45.22 -63.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.66 -61.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -51.31 -41.34 60.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' CB ' ' HE2' ' A' ' 26' ' ' LYS . 5.8 mm-40 -65.75 -20.46 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -102.25 3.62 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.24 44.08 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.2 m -134.37 156.96 78.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 123.51 7.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.38 -14.87 54.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.58 -39.77 77.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.5 p -112.04 40.57 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.2 p -119.49 155.38 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.17 149.57 23.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.9 mt -120.07 143.82 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 pt -144.52 163.06 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 p -90.25 156.76 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -61.72 88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 166.06 -30.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.83 31.5 3.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 mm -112.01 130.99 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.39 -167.11 4.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.567 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 12.6 mt -138.11 146.65 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.43 103.57 54.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.466 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 51.74 2.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.13 -6.71 27.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -131.81 170.72 14.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 19.3 p -58.94 147.07 35.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.06 -45.65 32.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.448 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -60.17 -22.57 58.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.5 m-20 -95.1 -14.63 24.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 42.1 t -93.88 -46.72 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.559 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.11 -10.84 60.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.63 -48.19 6.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.0 ptpt -72.29 -29.27 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 64' ' ' ILE . 96.3 m-70 -99.43 -50.61 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.01 -174.55 17.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 p -102.07 -36.78 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.39 101.97 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.08 160.7 39.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -117.17 138.75 51.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.447 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 8.1 tt -95.95 104.99 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -105.63 154.11 39.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 131.86 14.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -126.85 166.83 16.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 14.9 m -132.09 150.37 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.7 p -116.29 126.38 53.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CE1' HG21 ' A' ' 11' ' ' VAL . 16.4 m-85 -102.12 121.67 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.62 95.39 6.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' LYS . 3.9 mt -121.39 145.07 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.1 m -123.8 131.71 53.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.76 127.94 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -110.79 92.96 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.387 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.4 p -170.64 -64.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.07 153.47 74.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 69.65 5.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.05 -44.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 23' ' ' LEU . 2.5 mm? 59.28 64.32 3.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.0 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -71.61 154.04 41.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -130.65 147.92 52.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 t -137.69 95.96 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.57 HD21 ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -93.97 137.13 33.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -112.69 115.41 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -145.29 161.12 43.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.77 38.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.469 ' HG2' ' CG1' ' A' ' 11' ' ' VAL . 44.6 mt-10 -55.16 -57.87 9.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -37.98 -59.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.052 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -39.29 144.52 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.347 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 157.57 42.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.451 1.763 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.525 ' CD2' HG11 ' A' ' 73' ' ' VAL . 4.6 t80 -83.56 -39.06 20.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.4 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 3.9 t -43.17 -34.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.64 -48.02 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.9 t -40.9 -38.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 1.6 tm? -55.4 -62.16 1.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -57.67 9.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -49.46 -46.71 48.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.09 -58.21 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.98 -54.99 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.97 -23.44 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' CG ' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -78.95 -39.95 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 26' ' ' LYS . 20.0 m-85 -89.87 16.13 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.56 61.63 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.85 163.8 40.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.28 20.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.809 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.21 53.15 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.05 -54.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.4 p -90.42 40.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.457 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -140.97 151.06 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -161.8 165.98 27.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.5 mt -116.74 140.0 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.4 pt -137.05 163.52 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.8 p -81.28 164.05 22.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -59.21 -42.33 90.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -19.94 38.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.59 53.2 2.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.3 mt -138.57 138.88 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.46 169.98 3.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.562 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 55.5 mt -119.65 142.87 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.34 103.8 53.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.4 Cg_endo -74.94 51.46 2.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.6 -22.36 32.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -115.96 178.46 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' ASN . 71.9 p -65.34 150.99 47.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.98 -50.76 18.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.453 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.18 -22.6 44.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.5 m-80 -95.77 -15.26 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.525 HG11 ' CD2' ' A' ' 36' ' ' PHE . 54.2 t -93.27 -47.17 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CE2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -67.85 -13.02 61.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.43 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -90.72 -59.58 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.552 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -58.17 -57.21 13.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.562 ' CE1' ' HA ' ' A' ' 64' ' ' ILE . 88.8 m-70 -71.81 -47.79 50.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.83 156.56 9.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.3 p -77.86 -47.02 19.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 0.805 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -72.96 106.19 4.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.18 176.97 8.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -123.82 144.75 49.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.7 tt -96.75 111.83 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -109.65 156.66 39.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 131.35 14.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -132.49 159.14 40.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.552 HG12 ' CE1' ' A' ' 74' ' ' PHE . 34.7 m -120.07 147.95 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 p -120.07 134.0 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.404 ' CD1' ' CE2' ' A' ' 36' ' ' PHE . 7.9 m-85 -111.59 110.76 21.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -95.19 99.25 11.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -112.15 155.18 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 23' ' ' LEU . 34.4 m -136.22 118.46 15.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tp -54.29 148.24 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.0 p -123.38 89.99 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 p -169.08 -58.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.046 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.12 168.28 22.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -36.07 2.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.781 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -95.55 63.93 2.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 16' ' ' THR . 1.8 mp -39.2 99.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.02 158.47 42.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -116.46 154.6 30.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.542 ' HG2' ' CE2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -148.7 129.97 14.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.79 116.44 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.573 HD22 ' CE1' ' A' ' 42' ' ' PHE . 1.7 mt -91.5 173.15 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.5 p -145.08 113.3 6.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.06 163.36 33.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 132.48 15.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -45.09 -25.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -68.42 -46.79 68.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 2.8 m -52.33 144.88 21.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.98 158.85 42.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CE2' ' CD1' ' A' ' 13' ' ' PHE . 2.5 t80 -83.71 -11.2 57.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -30.37 66.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.23 -27.41 53.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' LEU . 97.8 t -61.06 -55.19 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' VAL . 4.5 tp -40.41 -61.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -45.16 -54.3 7.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' HD22 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -58.67 -58.71 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.964 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' PHE . . . -39.67 -48.4 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.459 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . -47.95 -53.29 16.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.89 -39.88 69.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.39 -32.37 70.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.542 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 20.6 m-85 -104.06 19.76 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.27 59.0 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.459 HG22 ' CA ' ' A' ' 44' ' ' ALA . 34.0 m -134.6 157.39 77.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.97 21.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.45 60.81 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.57 -49.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.2 p -98.82 36.54 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -140.33 158.44 44.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.57 155.53 19.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 65.5 mt -114.18 138.95 42.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.41 HD13 ' CA ' ' A' ' 61' ' ' GLY . 31.9 pt -131.86 162.21 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.469 ' CG2' HG23 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -107.24 173.77 6.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.455 ' N ' ' OG1' ' A' ' 58' ' ' THR . 31.9 m-20 -40.19 138.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.23 13.95 9.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' THR . . . 37.91 62.12 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.469 HG23 ' CG2' ' A' ' 58' ' ' THR . 4.8 tt -90.91 8.46 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 62' ' ' ILE . . . 58.01 116.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.482 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 84.4 mt -73.25 163.35 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -140.76 120.44 8.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.46 2.78 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.454 1.766 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.77 -30.14 36.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.6 pm0 -125.85 170.38 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' ASN . 44.8 p -55.39 152.01 9.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.43 -52.94 12.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -55.67 -22.06 31.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 69' ' ' THR . 75.9 m-20 -95.66 -17.88 20.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.425 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 75.0 t -90.98 -46.48 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.552 ' CE1' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.28 -11.04 60.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.51 -48.63 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.53 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -72.55 -29.51 63.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.53 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 95.3 m-70 -97.62 -50.24 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.637 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.57 171.2 13.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.49 -29.12 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.055 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -89.54 109.0 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mt -142.58 163.56 32.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.19 144.81 43.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.5 tt -101.24 121.66 52.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -113.75 154.8 45.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 140.27 25.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -135.49 175.53 9.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.559 HG12 ' CE1' ' A' ' 74' ' ' PHE . 29.5 m -150.26 143.66 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.5 p -113.06 121.54 44.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.963 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CE2' HG22 ' A' ' 39' ' ' VAL . 11.3 m-85 -98.62 117.19 32.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.13 98.03 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 mt -113.92 153.14 15.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 23' ' ' LEU . 42.1 m -132.55 103.04 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.13 103.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -97.01 47.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.443 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 p -109.16 6.92 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.92 160.57 30.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.24 3.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.25 -49.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HB3' ' CG2' ' A' ' 16' ' ' THR . 1.9 mp 65.41 64.08 1.01 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -74.98 108.4 2.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -91.57 149.67 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.72 133.24 6.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -89.67 129.01 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' A' ' 42' ' ' PHE . 57.2 tp -106.74 125.25 50.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.418 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 16.3 p -102.1 124.84 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.418 ' CG1' ' C ' ' A' ' 29' ' ' SER . 2.6 m -151.17 158.9 34.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -75.0 118.0 5.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' THR . 8.0 pt-20 -38.2 -46.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -38.27 -31.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.024 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.487 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 2.7 m -76.64 146.68 77.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.4 Cg_endo -75.02 124.72 8.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -43.85 -25.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.459 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.1 t -56.42 -30.89 63.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' N ' HG22 ' A' ' 37' ' ' THR . . . -71.12 -41.57 70.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.556 HG22 ' CE2' ' A' ' 13' ' ' PHE . 98.3 t -45.68 -49.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' CD1' ' OG ' ' A' ' 54' ' ' SER . 6.8 tp -48.55 -58.45 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -55.49 -58.08 9.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.56 ' CD1' HD11 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -47.58 -63.29 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.42 -58.27 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.461 ' CA ' HG23 ' A' ' 49' ' ' VAL . . . -42.05 -65.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -46.33 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -38.23 75.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -86.6 13.93 7.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.65 55.41 9.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.461 HG23 ' CA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -130.06 164.04 43.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.79 5.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.84 55.9 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.25 -47.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.5 p -103.11 46.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.414 ' OG ' ' CD1' ' A' ' 40' ' ' LEU . 10.6 p -130.1 155.9 45.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.13 153.83 18.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.7 mt -116.59 135.16 57.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 pt -127.22 171.72 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.464 ' CG2' HD11 ' A' ' 64' ' ' ILE . 72.5 p -95.17 -166.26 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -92.53 28.77 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -157.57 26.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 37.33 48.62 1.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 6.0 mt -105.38 1.94 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.51 -177.76 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.516 HD13 ' CG ' ' A' ' 77' ' ' HIS . 2.9 mm -123.0 168.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.459 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 34.9 m-20 -135.93 99.1 11.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.459 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 51.62 2.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.4 -17.63 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.1 pm0 -127.07 165.58 19.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.7 p -50.92 149.15 3.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.36 -50.11 52.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.567 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -55.86 -20.98 28.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -94.76 -16.56 22.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 71.4 t -93.75 -45.92 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -70.42 -12.54 61.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 3.8 tp -91.89 -46.18 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.483 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -72.53 -27.04 61.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.516 ' CG ' HD13 ' A' ' 64' ' ' ILE . 97.2 m-70 -102.58 -50.62 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 130.82 -168.61 21.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 p -109.31 -31.06 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -83.59 105.54 14.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.61 164.64 29.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -115.34 136.84 52.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 10.1 tt -98.71 112.4 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pp -121.75 156.72 58.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 122.62 7.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.779 . . . . 0.0 111.046 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -132.75 168.76 17.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.582 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 15.9 m -140.14 133.15 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.6 m -99.8 141.41 32.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CE1' ' CE2' ' A' ' 36' ' ' PHE . 7.5 m-85 -116.67 110.57 18.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -87.63 95.3 10.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 mt -113.71 136.65 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -112.56 112.72 24.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 47' ' ' PHE . 11.7 tp -54.95 128.4 33.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -99.85 -25.7 14.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.361 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -52.72 -45.29 66.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.26 155.03 60.33 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -45.76 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -47.09 -30.77 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.414 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 57.37 64.63 4.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.04 164.36 33.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -113.95 151.82 31.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -137.06 145.24 43.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.48 95.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 42' ' ' PHE . 6.0 tp -93.62 140.01 30.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.12 117.73 34.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -136.76 160.12 67.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.74 18.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 33' ' ' SER . 29.2 mt-10 -40.85 -58.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.2 m -37.26 -64.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 2.8 m -38.09 143.27 0.42 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.93 146.62 33.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CE2' ' CE1' ' A' ' 13' ' ' PHE . 4.3 t80 -66.13 -25.38 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.419 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 2.3 t -53.65 -35.31 60.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.9 87.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.513 HG23 ' CE2' ' A' ' 13' ' ' PHE . 86.1 t -50.6 -52.29 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tp -47.02 -62.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -48.72 -63.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.551 ' CD1' HD11 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -44.04 -63.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.4 -57.73 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.455 ' CA ' HG23 ' A' ' 49' ' ' VAL . . . -44.97 -58.44 3.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -34.72 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.35 -31.02 71.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 26' ' ' LYS . 8.3 m-85 -94.31 -6.24 44.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.08 60.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.455 HG23 ' CA ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -136.32 162.22 57.7 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.42 10.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.2 72.0 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.24 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.4 p -99.9 38.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.5 p -137.14 156.01 48.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.15 145.85 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 53.3 mt -103.83 143.11 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.455 ' CG2' ' HA2' ' A' ' 63' ' ' GLY . 5.1 pt -137.12 158.57 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.456 HG23 ' CD1' ' A' ' 64' ' ' ILE . 42.8 p -70.0 173.34 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.438 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -65.32 -13.85 59.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.51 -5.94 23.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.94 63.21 4.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.469 1.106 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.532 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 1.2 mm -117.98 1.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 57' ' ' ILE . . . 72.99 161.87 6.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.57 HG21 ' CD2' ' A' ' 77' ' ' HIS . 5.4 mm -109.69 164.79 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -133.26 99.63 14.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.97 51.2 2.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.43 -17.47 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.427 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -123.28 -175.43 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 72' ' ' ASN . 30.1 p -71.22 147.27 48.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.36 -51.24 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.464 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.13 -23.96 19.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' THR . 13.2 m-20 -95.53 -20.11 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.509 HG12 ' CG ' ' A' ' 36' ' ' PHE . 75.2 t -86.4 -45.74 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.582 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -73.3 -14.35 61.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.5 tp -91.72 -47.47 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.7 ptmt -69.43 -39.34 77.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.57 ' CD2' HG21 ' A' ' 64' ' ' ILE . 89.7 m-70 -92.39 -51.57 5.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.638 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 130.21 174.84 13.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -93.4 -40.81 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.989 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.88 102.81 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.31 176.65 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.47 144.36 51.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.4 tt -100.4 124.35 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.7 156.74 79.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.57 10.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -123.15 173.11 8.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.573 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 17.2 m -138.95 136.24 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 p -109.16 124.71 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -105.04 135.04 47.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -109.31 98.54 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 mt -119.96 158.28 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.5 m -135.88 124.12 23.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -62.7 128.7 37.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -106.04 90.5 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -179.15 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.92 149.23 98.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 65.04 6.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 172.05 -33.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp 64.16 77.76 0.3 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.08 42.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -124.97 154.19 41.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.86 134.65 18.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 t -91.93 115.65 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -92.43 164.09 13.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.2 p -145.62 115.31 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.26 161.34 45.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -75.01 123.76 8.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' PRO . 7.2 pt-20 -35.76 -46.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -42.28 -55.16 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.442 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 1.1 m -47.67 138.84 9.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.32 33.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.81 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CD2' HG11 ' A' ' 73' ' ' VAL . 2.3 t80 -61.93 -16.38 50.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 t -65.12 -33.34 75.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.92 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.9 t -60.28 -42.57 91.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.19 -53.11 38.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -61.37 -60.43 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.552 ' CE1' HD23 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -47.36 -63.01 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.79 -52.36 3.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.427 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -46.29 -67.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.57 -33.4 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -41.91 97.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -94.18 1.44 56.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mttp 65.46 40.33 4.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.427 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 25.9 m -119.67 157.18 52.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.5 25.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.72 39.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.53 -48.42 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.4 p -98.32 34.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.0 m -131.39 156.32 45.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 84' ' ' ILE . . . -162.73 157.01 21.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.2 mt -107.32 151.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.1 pt -152.23 179.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.453 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 48.4 p -106.25 -172.03 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -89.78 15.78 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -127.19 21.37 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.5 51.36 43.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.5 mm -134.95 125.19 45.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.26 -171.23 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.476 ' CD1' ' ND1' ' A' ' 77' ' ' HIS . 19.8 mm -134.39 145.18 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.58 100.98 44.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 51.15 2.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.7 -13.22 43.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.35 179.9 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.4 p -68.21 150.43 48.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -48.79 -48.02 41.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.559 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -59.1 -20.27 49.02 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.76 -17.68 21.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.557 HG11 ' CD2' ' A' ' 36' ' ' PHE . 30.5 t -93.81 -45.67 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.72 -14.14 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.516 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 4.0 tp -91.25 -58.67 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.566 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -56.65 -58.2 9.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.566 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 91.8 m-70 -74.67 -47.45 31.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.5 157.89 9.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -44.78 36.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -67.64 104.42 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.24 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.48 166.22 25.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -116.39 146.69 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.7 tt -100.78 113.02 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 55' ' ' ALA . 1.7 pp -109.13 156.69 38.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 132.88 15.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -131.5 165.12 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.621 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 27.5 m -138.47 131.06 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 p -96.49 129.48 43.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.498 ' CE2' HG21 ' A' ' 39' ' ' VAL . 8.8 m-85 -103.17 111.02 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.79 95.47 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 mt -126.74 156.83 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.5 m -130.13 132.67 46.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -51.26 98.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 m -82.76 76.13 9.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.2 p -171.0 -54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.32 165.57 43.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -46.59 -42.47 16.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.413 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.8 OUTLIER 58.41 64.56 3.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -75.01 154.88 42.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -119.03 152.61 36.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' NZ ' ' HA ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -159.44 129.19 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 m -94.9 125.41 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 42' ' ' PHE . 55.8 tp -102.28 128.96 48.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -101.95 119.71 39.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -141.03 160.26 58.77 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.57 14.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' SER . 32.5 mt-10 -42.07 -55.96 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLU . 13.4 p -37.65 -56.23 1.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 17.7 m -50.32 144.69 11.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.97 161.56 38.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.455 ' CE2' ' CD1' ' A' ' 13' ' ' PHE . 3.7 t80 -79.27 -14.31 59.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 t -66.56 -30.6 70.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.44 -29.45 62.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 13' ' ' PHE . 81.6 t -60.5 -42.07 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -64.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -44.94 -61.36 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -47.46 -60.64 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 26' ' ' LYS . . . -46.42 -56.84 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -44.61 -69.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.81 -46.74 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -44.95 61.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -87.86 17.49 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptt 48.1 55.84 8.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 16.3 m -132.37 157.39 78.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.25 15.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.555 1.818 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.79 50.38 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.17 -50.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.0 p -96.89 46.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 m -138.67 158.02 45.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 110.058 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.15 159.89 23.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.8 mt -121.34 136.25 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.1 pt -133.24 173.95 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.5 p -94.61 -169.37 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.8 -20.18 59.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.14 14.67 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 45.83 57.61 5.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.452 ' O ' ' CG2' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -98.14 5.0 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 0.742 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 62' ' ' ILE . . . 58.63 118.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.17 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.467 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 27.7 mt -74.1 143.9 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.774 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.69 107.2 44.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.29 2.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.29 -24.14 26.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -117.84 -176.03 2.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' ASN . 47.7 p -71.86 149.04 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.2 -50.65 15.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.7 -24.79 26.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' THR . 2.1 m-20 -96.21 -19.73 19.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.783 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.4 t -85.52 -46.57 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.621 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.43 -13.77 61.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.5 tp -91.29 -48.8 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.481 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -66.34 -44.42 83.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.481 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 95.0 m-70 -87.02 -50.41 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.59 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 129.3 -176.26 18.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.6 p -97.86 -28.66 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -89.52 107.96 19.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -142.94 179.21 7.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -128.19 148.6 50.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 8.6 tt -113.04 106.63 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pp -106.96 155.27 39.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.27 25.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -125.93 173.26 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.565 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 33.5 m -135.22 153.57 34.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.5 p -118.91 128.88 54.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -106.81 125.52 51.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.72 95.46 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -111.91 143.7 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -121.92 108.86 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tp -50.83 122.82 7.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -124.6 58.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -137.75 -57.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -69.67 173.89 3.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.0 55.76 4.05 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -173.91 168.16 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.356 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -130.49 69.33 82.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.01 6.5 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -131.16 154.42 48.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.77 149.27 51.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.5 t -137.65 95.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -93.24 137.88 32.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.32 108.29 14.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 m -136.99 158.21 73.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -74.99 139.05 23.84 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' SER . 27.4 mt-10 -38.8 -57.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -37.21 -64.15 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 2.7 m -38.65 142.92 0.48 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.0 157.1 42.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.502 ' CG ' HG12 ' A' ' 73' ' ' VAL . 4.5 t80 -80.42 -11.35 59.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.7 t -68.87 -36.17 77.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.41 -31.28 71.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.3 t -58.62 -54.16 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' CG ' HD11 ' A' ' 56' ' ' ILE . 1.9 tt -46.61 -62.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -49.64 -62.73 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.558 ' CD1' HD21 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -43.79 -52.59 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.37 80.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -63.6 -66.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -46.48 -35.07 5.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.96 -37.79 75.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CB ' HG23 ' A' ' 49' ' ' VAL . 2.2 m-85 -90.71 22.34 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER 40.51 56.03 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 2.5 m -131.15 160.35 67.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.35 54.92 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.5 -54.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.58 55.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.77 154.88 47.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.71 139.46 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.45 HD11 ' CG ' ' A' ' 40' ' ' LEU . 15.9 mt -95.03 136.52 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 pt -131.04 162.39 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 p -92.62 157.32 16.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.7 m-20 -65.86 84.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 22.9 t0 175.72 -34.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.51 51.13 0.59 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.5 mm -140.5 140.84 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.225 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.14 -178.03 48.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.472 ' CG2' HG11 ' A' ' 73' ' ' VAL . 13.0 mt -127.06 141.99 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -110.66 101.67 49.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 51.5 2.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.5 -16.7 28.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -117.87 -169.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 72' ' ' ASN . 21.0 p -77.12 145.96 37.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.34 -47.41 25.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.56 -24.27 46.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' CB ' ' HG3' ' A' ' 68' ' ' GLN . 69.9 m-20 -94.96 -14.95 23.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.502 HG12 ' CG ' ' A' ' 36' ' ' PHE . 53.2 t -92.35 -47.32 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CE2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.48 -13.38 62.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.4 tp -91.2 -51.27 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.496 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 13.2 ptmt -67.75 -45.62 74.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.496 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 86.6 m-70 -83.04 -46.06 13.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 122.53 175.48 14.72 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.9 p -92.67 -44.16 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -76.53 107.23 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.5 179.99 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -131.51 145.14 51.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.4 tt -97.3 117.72 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.56 158.02 57.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 151.28 39.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.45 165.03 13.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.578 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 27.5 m -137.88 139.6 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 p -107.87 132.88 52.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CD2' HG22 ' A' ' 39' ' ' VAL . 2.2 m-85 -107.56 120.56 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -93.87 99.92 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -113.65 143.97 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.458 HG21 ' CD1' ' A' ' 23' ' ' LEU . 1.2 t -129.77 121.53 27.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.36 105.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.2 p -89.64 63.78 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.3 p -178.77 61.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t70 179.99 143.0 0.36 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 58.94 5.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -164.19 -44.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' HG21 ' A' ' 16' ' ' THR . 1.7 mm? 67.4 64.34 0.71 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.0 129.45 12.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -118.81 152.16 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 139.61 13.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.0 m -101.49 134.69 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.8 tp -116.2 113.52 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -91.37 125.52 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.9 m -147.29 158.99 43.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 124.41 8.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.47 ' CG ' ' HA3' ' A' ' 71' ' ' GLY . 44.1 mt-10 -39.77 -47.83 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLU . 2.7 p -39.15 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.485 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 19.1 m -80.01 144.76 59.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.03 153.39 41.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.793 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.466 ' CG ' HG13 ' A' ' 73' ' ' VAL . 2.6 t80 -78.0 -10.05 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -64.83 -31.77 73.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -73.72 -65.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.535 HG22 ' CD2' ' A' ' 13' ' ' PHE . 2.0 p -34.41 -48.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 2.5 tp -44.81 -60.8 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -61.79 -58.79 6.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -39.19 -57.65 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.93 -50.8 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -44.81 -54.05 6.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.14 -33.03 68.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -14.92 61.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -110.71 3.8 19.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mttt 62.18 27.99 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 32.2 m -110.93 157.33 38.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 134.63 18.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.3 52.23 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.95 -50.37 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.5 p -94.97 41.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -133.44 158.2 43.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.24 130.67 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 40' ' ' LEU . 93.4 mt -98.05 130.65 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.407 ' CD1' ' HA2' ' A' ' 61' ' ' GLY . 6.3 pt -134.29 163.52 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.9 p -84.49 163.56 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -53.27 -32.79 50.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -65.27 -16.65 63.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.407 ' HA2' ' CD1' ' A' ' 57' ' ' ILE . . . 86.39 48.99 4.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 mm -134.76 137.36 51.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.85 -164.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.413 HD11 ' ND1' ' A' ' 77' ' ' HIS . 5.3 mm -131.28 167.63 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.446 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 5.3 m120 -137.31 104.85 8.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.95 51.11 2.68 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.73 -15.73 29.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 65' ' ' ASN . 1.2 pm0 -128.73 -176.15 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.408 ' OG1' ' ND2' ' A' ' 72' ' ' ASN . 61.4 p -70.07 149.31 47.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -47.86 -46.91 31.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.509 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -58.98 -22.93 56.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.408 ' ND2' ' OG1' ' A' ' 69' ' ' THR . 22.3 m-20 -94.8 -14.81 24.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.737 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.466 HG13 ' CG ' ' A' ' 36' ' ' PHE . 40.9 t -94.1 -47.66 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -68.52 -14.19 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.3 tp -91.23 -58.14 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -58.48 -44.93 89.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.444 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 92.5 m-70 -84.4 -46.09 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.568 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 119.6 164.59 12.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.4 p -81.69 -38.33 25.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -75.57 105.96 6.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.5 167.35 22.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.0 143.51 50.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.6 tt -97.67 117.72 42.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -107.48 156.54 37.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.75 5.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -134.81 165.08 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.566 ' HB ' ' CD2' ' A' ' 74' ' ' PHE . 28.6 m -135.59 137.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 p -113.93 137.6 51.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.04 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.692 ' CE1' ' CE2' ' A' ' 36' ' ' PHE . 14.6 m-85 -105.97 110.62 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -89.91 95.54 10.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.1 mt -113.24 149.0 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 23' ' ' LEU . 43.6 m -135.03 125.39 26.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 48.7 tp -52.51 144.6 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.435 ' O ' ' CB ' ' A' ' 19' ' ' SER . 46.7 p -127.78 101.5 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' THR . 4.0 p 163.93 -49.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 110.01 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.32 171.35 6.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.02 -169.47 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' PRO . 27.6 mtp180 37.31 58.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.459 ' HB3' ' CG2' ' A' ' 16' ' ' THR . 4.8 mp -37.29 98.07 0.15 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.99 139.67 24.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -117.64 153.13 33.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.06 154.5 44.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.7 t -127.79 99.12 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' CD1' ' HG3' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -91.42 113.38 25.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.471 ' O ' ' CG1' ' A' ' 30' ' ' VAL . 58.7 p -94.55 132.55 39.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 29' ' ' SER . 35.2 m -156.52 157.78 31.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 122.26 7.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -38.29 -46.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 p -40.48 -38.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 3.0 m -70.57 145.65 92.9 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 110.455 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.451 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.02 160.57 39.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CE2' ' CE1' ' A' ' 13' ' ' PHE . 2.4 t80 -87.71 -10.87 49.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -34.93 77.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -70.21 -66.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.2 p -35.93 -42.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 1.9 tm? -40.46 -53.77 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ALA . 6.0 mttt -69.87 -58.14 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' ALA . 1.2 t80 -41.27 -53.73 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -40.05 -53.22 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.452 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . -45.25 -51.19 11.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -32.61 69.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -66.99 -19.17 65.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 17' ' ' LEU . 10.9 m-85 -112.89 -0.61 14.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mttt 65.72 49.89 1.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.452 HG22 ' CA ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -128.74 161.42 57.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.69 28.09 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.47 54.26 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.77 -52.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.4 p -91.23 40.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -138.02 147.03 43.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -159.95 135.71 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.414 ' CD1' HD21 ' A' ' 40' ' ' LEU . 51.1 mt -103.64 134.54 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CG2' ' HA2' ' A' ' 63' ' ' GLY . 4.2 pt -136.68 177.16 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.3 p -97.72 -178.57 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.8 OUTLIER -80.39 88.85 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 3.4 m-20 159.0 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.34 -30.41 4.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.96 140.4 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' A' ' 57' ' ' ILE . . . -81.19 -157.21 16.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.56 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 7.7 mm -127.57 149.57 32.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 0.746 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.448 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 8.1 m120 -124.88 103.86 30.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.7 2.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.14 -15.47 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.46 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.7 pm0 -127.22 177.21 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 72' ' ' ASN . 24.9 p -66.28 152.82 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.5 -53.55 11.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.508 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -54.91 -21.89 25.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.1 m-20 -94.79 -18.73 20.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 0.736 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.469 HG12 ' CB ' ' A' ' 36' ' ' PHE . 61.2 t -90.92 -46.68 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.89 -14.48 62.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.533 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.4 tp -91.45 -53.32 4.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.464 ' CG ' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -63.55 -42.22 98.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.56 ' CE1' ' HA ' ' A' ' 64' ' ' ILE . 89.8 m-70 -86.75 -48.29 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.634 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.32 161.22 10.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 p -79.83 -51.97 8.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.18 101.9 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.45 170.26 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -122.07 139.91 53.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 2.1 tt -96.22 116.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.04 155.58 41.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 114.1 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.31 171.16 12.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.631 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 26.9 m -147.97 140.51 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 p -112.99 124.88 53.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CD1' ' CE2' ' A' ' 36' ' ' PHE . 3.2 m-85 -96.37 117.04 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 95.87 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -110.86 154.6 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -133.85 112.77 11.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.95 135.61 57.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.6 p -122.44 100.55 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 p 178.36 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -94.08 149.56 37.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 55.53 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -152.33 -45.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 3.3 mp 67.38 64.3 0.71 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.0 146.72 32.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -124.83 149.78 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 0.9 OUTLIER -153.12 133.78 13.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -98.53 126.16 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.48 123.04 44.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.41 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 52.3 p -97.64 124.9 42.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 29' ' ' SER . 3.3 m -152.1 158.9 33.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.44 17.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' SER . 27.8 mt-10 -40.28 -56.54 1.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -36.06 -63.76 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 m -39.25 141.57 0.65 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 158.44 42.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.456 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.6 t80 -84.47 -11.23 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.458 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 4.6 t -62.06 -34.16 75.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -71.29 -66.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.1 p -35.69 -46.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 1.4 tp -42.89 -62.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HA ' ' CB ' ' A' ' 51' ' ' ALA . 5.1 mtpp -61.69 -55.84 26.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' ALA . 1.3 t80 -41.75 -54.9 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -40.43 -61.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' PHE . . . -40.82 -63.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -45.34 -37.79 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -67.59 -37.15 82.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 26' ' ' LYS . 31.4 m-85 -90.79 2.69 55.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.8 69.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -158.5 162.59 26.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.93 6.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' CB ' ' HA ' ' A' ' 41' ' ' LYS . . . -79.31 -38.11 36.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.9 -40.93 23.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.5 p -105.8 44.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.0 p -125.69 163.24 23.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.62 137.74 11.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 40' ' ' LEU . 97.4 mt -114.46 121.28 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.0 pt -117.19 170.22 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -86.47 -169.37 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -93.24 31.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.69 31.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 49.49 49.35 33.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.0 mm -132.66 135.82 56.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.05 -174.88 14.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.42 HG23 ' NE2' ' A' ' 77' ' ' HIS . 61.7 mt -131.93 149.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.4 112.81 23.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 51.48 2.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.771 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.56 -23.83 39.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -124.08 172.06 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.7 p -55.97 151.46 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.86 -44.01 49.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.406 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.64 -24.88 54.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -95.45 -16.47 22.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -89.88 -46.27 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.03 -13.51 61.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.6 tp -91.46 -52.7 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.504 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -64.45 -41.43 96.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.504 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 90.8 m-70 -88.42 -48.25 7.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 109.621 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.62 171.9 13.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 p -94.49 -3.3 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -109.24 103.88 12.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.266 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.33 166.28 25.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -123.38 142.43 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.437 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 2.8 tt -96.1 109.8 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pp -106.55 156.73 36.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 127.95 11.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -120.94 168.7 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.56 HG11 ' CE1' ' A' ' 74' ' ' PHE . 17.4 m -137.18 122.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 t -98.24 138.49 35.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CE1' HG21 ' A' ' 39' ' ' VAL . 6.4 m-85 -113.08 147.06 38.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.19 95.64 4.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 mt -114.11 148.87 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.416 ' O ' ' CG2' ' A' ' 18' ' ' THR . 17.8 m -125.66 120.84 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.5 tp -56.34 133.19 52.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 16' ' ' THR . 14.1 p -133.71 92.04 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -178.37 -38.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.6 172.5 6.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.94 55.57 3.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -173.58 -174.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD23 ' CG2' ' A' ' 16' ' ' THR . 0.3 OUTLIER -156.99 64.4 3.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.03 124.35 8.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.539 1.81 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -74.01 155.03 39.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -131.26 145.84 52.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.68 97.93 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -91.47 163.02 14.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.29 116.21 9.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 m -145.87 158.38 49.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.97 128.76 11.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' PRO . 8.3 pt-20 -36.07 -45.33 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.27 -52.65 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 3.5 m -48.35 145.78 5.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.98 150.62 38.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.593 1.839 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.479 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 3.8 t80 -71.04 -25.15 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 t -55.89 -32.85 64.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.11 75.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 13' ' ' PHE . 97.5 t -53.08 -38.19 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 tp -62.33 -63.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -47.09 -48.61 22.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.549 ' CD1' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -61.29 -60.31 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.402 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -43.73 -49.93 7.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.36 -66.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.0 -38.12 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -47.76 80.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 26' ' ' LYS . 8.8 m-85 -84.0 10.83 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.22 60.34 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.85 160.81 67.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 135.7 19.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.77 55.35 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.61 -54.63 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.0 p -91.81 32.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -132.33 156.42 46.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.21 152.48 14.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.2 mt -110.14 133.47 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.447 ' CD1' ' C ' ' A' ' 60' ' ' ASP . 15.7 pt -141.63 160.4 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.426 ' CG2' ' CD2' ' A' ' 81' ' ' LEU . 20.7 p -91.0 141.53 28.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.415 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 61' ' ' GLY . 7.1 m120 46.93 27.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.447 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 0.7 OUTLIER 54.57 16.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 59' ' ' ASN . . . -118.34 -87.16 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.82 140.63 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.424 ' HA2' ' CG2' ' A' ' 57' ' ' ILE . . . -86.05 -160.32 33.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.573 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 21.4 mt -142.1 144.97 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.62 107.89 42.1 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 52.03 2.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.56 -16.43 34.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.457 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.1 pm0 -127.38 -175.61 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' ASN . 26.1 p -69.56 148.81 48.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.19 -55.68 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.32 -21.15 11.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' THR . 8.1 m-20 -95.5 -19.73 19.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 72.7 t -88.92 -46.61 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.56 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.91 -10.87 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tp -92.16 -40.83 10.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.531 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.7 OUTLIER -82.08 -28.18 32.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 64' ' ' ILE . 96.8 m-70 -99.95 -40.38 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 112.35 176.91 19.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.24 -16.1 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -94.85 102.68 14.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.426 ' CD2' ' CG2' ' A' ' 58' ' ' THR . 0.5 OUTLIER -141.43 175.42 9.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.8 151.83 51.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.6 tt -98.06 133.78 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pp -133.1 156.81 79.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.94 5.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -127.52 166.21 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.564 HG11 ' CE1' ' A' ' 74' ' ' PHE . 30.2 m -141.47 129.24 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.83 122.42 46.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -98.81 118.24 35.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.47 103.14 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.75 156.66 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -138.66 127.0 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.535 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 8.8 tp -63.82 147.84 50.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -129.12 20.29 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.7 p -107.3 -36.13 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.75 145.39 36.81 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.79 3.76 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -150.79 -45.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 4.8 mp 65.81 63.89 0.96 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.1 Cg_endo -75.07 175.52 11.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -131.62 152.77 50.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -160.53 130.4 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.6 m -102.22 127.26 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.96 116.77 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 p -94.9 122.52 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 m -152.85 158.21 33.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.98 123.71 8.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -38.44 -46.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 p -40.0 -37.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.959 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 4.0 m -70.43 145.85 93.46 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.4 Cg_endo -75.02 157.03 42.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CG ' HG13 ' A' ' 73' ' ' VAL . 2.5 t80 -82.0 -12.16 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.471 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.2 t -61.34 -33.86 74.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -71.74 -67.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 36' ' ' PHE . 2.1 p -35.93 -45.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 5.8 tt -45.26 -66.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -58.72 -54.01 51.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -43.61 -46.84 7.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.5 37.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.93 -59.66 3.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -51.69 -35.17 41.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -30.37 71.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 17' ' ' LEU . 10.9 m-85 -95.25 -5.6 43.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 75.39 49.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.58 164.65 41.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 138.35 23.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.64 50.32 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.42 -50.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.5 p -96.97 44.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.9 m -135.32 153.41 51.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.26 131.85 8.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.502 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 92.3 mt -102.48 121.74 53.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 pt -120.93 169.39 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.4 p -85.5 -167.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -92.05 19.41 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -131.23 35.29 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 40.48 57.71 2.66 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.8 mm -139.44 137.23 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.97 -170.47 6.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.564 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 17.7 mt -132.3 144.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.441 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.0 t30 -120.77 112.18 33.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.98 51.74 2.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.35 -15.58 42.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 65' ' ' ASN . 1.6 pm0 -130.53 -174.55 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 p -72.9 154.55 40.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.16 -54.29 17.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.498 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.97 -21.56 17.41 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.38 -19.32 20.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 0.807 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.501 HG13 ' CG ' ' A' ' 36' ' ' PHE . 17.8 t -89.31 -46.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.32 -10.69 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.7 -44.47 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.557 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -77.95 -30.27 50.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 64' ' ' ILE . 93.1 m-70 -96.65 -41.54 8.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 117.25 175.81 17.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.0 p -92.98 -36.81 12.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 110.061 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -84.71 107.94 17.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.49 166.64 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -121.79 137.59 54.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.425 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 4.2 tt -97.35 113.73 32.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -113.44 154.62 45.42 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.24 5.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -132.37 168.17 18.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 74' ' ' PHE . 30.3 m -131.52 127.21 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -99.95 128.02 46.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 6.9 m-85 -104.26 110.16 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -92.37 95.41 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -108.46 125.8 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -110.88 111.18 22.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.84 142.09 46.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p -117.95 62.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.69 -45.45 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.39 166.94 11.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.21 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -23.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 49.46 79.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 112.4 3.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -85.88 148.71 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 1.2 tmtm? -124.79 142.45 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.54 99.87 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -98.1 145.96 26.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -115.49 112.83 22.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.3 m -136.1 160.71 66.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.03 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.52 -40.28 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.6 p -54.27 -46.36 72.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 13.6 m -54.27 145.17 37.44 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.0 159.23 41.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.525 ' CE2' ' CD1' ' A' ' 13' ' ' PHE . 2.5 t80 -85.03 -9.89 57.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.469 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 2.4 t -65.28 -33.35 75.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -72.38 -65.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.471 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.0 p -34.12 -46.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.27 -68.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -47.93 -55.95 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -41.79 -61.39 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -45.0 -59.43 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -40.02 -65.9 0.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.4 -50.49 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.97 -48.69 72.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 23.4 m-85 -69.76 -5.71 27.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.68 59.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.29 157.56 75.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.27 33.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.41 54.8 2.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.04 -48.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.5 p -93.28 43.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 p -136.68 143.26 43.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.16 119.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.1 mt -90.0 118.82 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.1 pt -120.1 135.38 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 59' ' ' ASN . 1.1 t -87.23 170.73 11.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' N ' ' OG1' ' A' ' 58' ' ' THR . 68.1 m-20 -61.43 88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.23 -30.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 50.33 1.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -128.38 117.49 45.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.73 -13.95 20.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.567 HG22 ' CD2' ' A' ' 77' ' ' HIS . 9.7 mt 76.23 141.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -118.57 119.43 32.78 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.469 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 51.87 2.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.29 -24.94 31.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -121.39 -174.5 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' ASN . 30.2 p -73.66 151.32 40.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.97 -52.75 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.518 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -55.98 -21.92 32.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' THR . 17.2 m-20 -95.2 -17.32 21.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 77.1 t -92.1 -46.69 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.557 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.47 -10.93 60.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.963 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.8 -48.55 6.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.3 ptpt -72.59 -29.05 63.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.577 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 94.4 m-70 -99.55 -50.62 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.593 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 126.47 173.22 13.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.1 p -88.57 -37.54 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.783 . . . . 0.0 110.007 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.466 ' O ' ' CD2' ' A' ' 81' ' ' LEU . 25.4 mt-10 -85.83 120.0 26.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -147.86 169.39 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.93 134.26 55.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.42 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 6.2 tt -95.61 113.66 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -108.1 156.46 38.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.042 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.59 165.38 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.531 HG12 ' CE1' ' A' ' 74' ' ' PHE . 3.8 m -136.07 133.43 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 p -100.71 134.25 43.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 8.2 m-85 -114.89 131.84 56.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 95.44 5.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 16' ' ' THR . 3.5 mt -112.25 147.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.412 ' N ' HG22 ' A' ' 15' ' ' ILE . 4.8 m -131.33 125.44 32.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -61.27 109.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 p -94.37 75.92 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.0 p -155.25 -66.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.955 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.07 149.84 87.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 74.12 4.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -160.14 -43.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 66.72 66.02 0.72 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.72 6.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -82.79 153.77 25.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.93 145.44 48.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.7 t -133.33 95.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.46 HD13 ' CD1' ' A' ' 42' ' ' PHE . 14.6 tp -97.69 144.24 27.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.07 120.14 32.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 110.04 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.91 158.95 44.57 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.71 8.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 34' ' ' THR . 14.6 pt-20 -39.24 -45.46 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.9 p -39.12 -30.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 53.7 m -81.38 144.02 52.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.93 160.21 40.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.28 -36.82 58.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 38' ' ' ALA . 8.7 t -43.89 -35.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.424 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' N ' HG22 ' A' ' 37' ' ' THR . . . -70.12 -47.09 63.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.0 t -41.36 -43.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.422 ' CD2' HD12 ' A' ' 56' ' ' ILE . 2.3 tm? -46.18 -70.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.414 ' N ' HD12 ' A' ' 40' ' ' LEU . 36.2 mttt -42.12 -61.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CD1' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -47.29 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.97 -26.38 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.436 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -73.65 -69.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.88 -34.73 9.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.31 -37.26 84.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.74 4.59 52.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 66.21 21.93 11.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 15.7 m -101.87 157.36 33.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.19 24.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.416 1.745 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.33 41.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.81 -52.67 1.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.6 p -104.03 45.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -138.55 134.88 34.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.23 163.9 31.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.422 HD12 ' CD2' ' A' ' 40' ' ' LEU . 8.1 mt -114.59 126.88 72.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.5 pt -119.97 157.52 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' GLY . 5.9 t -112.92 170.04 8.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.417 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 12.9 m120 -39.54 136.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 0.4 OUTLIER 76.85 9.18 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' THR . . . 40.34 48.64 3.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -87.87 13.3 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.47 171.95 2.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.559 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 26.6 mt -131.77 140.78 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.447 ' H ' ' CE1' ' A' ' 77' ' ' HIS . 2.4 t30 -114.89 106.48 51.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.57 2.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.93 -10.97 56.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.44 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.0 OUTLIER -130.11 170.4 14.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 72' ' ' ASN . 43.9 p -56.68 149.53 17.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -47.0 -49.33 21.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.71 -23.71 45.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' THR . 2.4 m-20 -95.94 -17.34 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.44 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 71.7 t -89.77 -47.07 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.531 ' CE1' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.11 -12.93 62.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -91.28 -62.04 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -56.06 -56.62 18.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.573 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 83.9 m-70 -71.02 -46.21 62.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' PHE . . . 122.24 147.87 7.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 t -69.77 -44.24 70.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -77.06 102.66 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.84 175.55 9.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.62 137.66 54.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.439 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 6.1 tt -96.21 114.31 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.67 154.26 44.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.25 7.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -140.51 164.33 30.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -108.33 119.28 39.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.19 119.21 0.48 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.33 119.02 17.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.38 90.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.2 p -105.83 -53.07 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -178.54 -63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.62 109.59 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -123.84 171.11 9.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.564 HG12 ' CE1' ' A' ' 74' ' ' PHE . 5.2 m -145.55 120.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.4 p -96.28 149.62 21.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 36' ' ' PHE . 2.3 m-85 -125.45 149.2 48.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.33 96.4 4.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.19 136.68 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 m -116.26 137.26 52.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 tp -72.54 109.74 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.8 p -90.18 37.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.8 p -113.84 -35.05 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.67 154.87 37.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.43 9.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 mtm105 -95.96 -23.88 16.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.341 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.18 69.25 2.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.28 34.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -125.07 161.54 26.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.21 129.2 8.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 t -91.61 116.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 29' ' ' SER . 25.9 tp -97.66 159.03 15.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.431 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 92.8 p -141.45 117.98 10.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.431 ' CG1' ' C ' ' A' ' 29' ' ' SER . 1.3 m -150.79 160.85 31.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.97 121.32 6.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' PRO . 7.7 pt-20 -37.22 -46.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' GLU . 8.9 t -38.06 -38.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 2.4 m -66.4 146.63 99.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.96 134.25 17.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.462 ' CB ' HG12 ' A' ' 73' ' ' VAL . 3.9 t80 -58.83 -14.87 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.47 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -65.02 -30.72 71.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.46 -36.4 68.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.6 t -51.56 -32.96 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 56' ' ' ILE . 0.6 OUTLIER -62.05 -66.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -42.37 -48.41 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.74 -55.1 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.7 -22.74 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -77.65 -72.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.35 -33.8 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.51 -39.88 74.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -96.11 8.97 42.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 60.95 41.35 14.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 26.9 m -114.89 157.54 42.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.91 13.72 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.432 1.754 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.51 46.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.51 -49.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.7 p -104.45 39.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.95 149.98 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.25 152.2 16.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.432 ' CD1' HD21 ' A' ' 40' ' ' LEU . 6.7 mt -97.48 136.35 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.2 pt -131.42 168.97 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.3 p -85.73 -170.21 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -93.82 27.77 2.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.21 19.22 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.65 21.36 60.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.5 mt -103.9 137.83 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.52 -170.17 7.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.412 HG21 ' NE2' ' A' ' 77' ' ' HIS . 65.2 mt -138.36 144.92 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.451 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 50.1 m-80 -116.45 107.19 47.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.04 51.69 2.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.09 20.04 7.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER -162.69 171.27 17.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.5 p -56.67 145.15 29.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.5 -41.06 28.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.531 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -60.01 -23.35 59.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -94.94 -17.59 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.462 HG12 ' CB ' ' A' ' 36' ' ' PHE . 68.8 t -91.21 -46.27 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CE1' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.31 -14.25 62.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.8 tp -91.31 -51.15 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -64.94 -41.96 95.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.43 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 94.4 m-70 -88.24 -49.11 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 127.11 178.33 15.27 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 p -94.28 -46.65 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -72.95 102.6 3.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.0 173.63 11.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 145.35 51.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.6 tt -95.44 118.0 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -116.78 156.87 47.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.57 30.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.447 1.762 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -118.35 149.14 41.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -152.73 126.56 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -83.71 -53.07 5.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.03 134.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.11 -136.16 12.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.48 -63.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 0.811 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.267 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 p -167.27 160.69 13.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.017 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.62 -55.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.61 176.72 29.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.38 69.88 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -160.26 152.73 20.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 m -122.5 97.7 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.21 98.33 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.26 103.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -132.99 177.44 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.561 HG13 ' CE1' ' A' ' 74' ' ' PHE . 15.4 m -149.21 132.64 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -101.74 139.96 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -119.61 119.97 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -98.41 96.05 7.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 mt -112.69 148.24 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.9 m -126.01 106.77 9.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -50.4 116.79 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.418 HG23 ' CZ ' ' A' ' 82' ' ' ARG . 49.1 p -100.71 104.47 15.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.37 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 p -175.77 -73.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.6 156.16 89.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.11 4.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.77 -50.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 mp 64.0 65.25 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.44 42.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -125.9 155.45 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -145.3 139.01 26.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.4 104.26 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.544 HD12 ' CD1' ' A' ' 42' ' ' PHE . 23.7 tp -92.46 160.64 14.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.41 121.27 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.66 157.39 38.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.01 7.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' THR . 11.9 pt-20 -39.02 -45.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' GLU . 37.1 p -38.86 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 15.6 m -79.62 145.08 62.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.362 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.0 131.31 14.15 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.519 ' CG ' HG11 ' A' ' 73' ' ' VAL . 3.9 t80 -50.07 -23.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.66 -25.53 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.454 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.05 49.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.4 t -56.59 -62.41 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -45.81 -46.06 15.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' HD13 ' A' ' 40' ' ' LEU . 20.5 mttm -61.09 -42.98 99.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.544 ' CD1' HD12 ' A' ' 28' ' ' LEU . 1.4 t80 -67.19 -53.01 34.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.54 -37.31 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -60.45 -51.6 68.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -61.72 -16.52 49.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -37.58 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.406 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 44.7 m-85 -94.87 25.7 3.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 42.33 48.16 4.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 34.8 m -130.58 157.52 77.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.97 22.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.68 49.17 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.02 -49.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 p -93.86 36.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.1 p -129.45 157.83 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ILE . . . -161.87 152.31 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 74.1 mt -118.06 140.62 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 pt -136.59 179.31 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.5 p -98.43 -166.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -95.13 37.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.37 20.06 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.9 55.95 21.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.969 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.5 mt -119.89 -140.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -161.87 121.57 1.03 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.57 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 59.1 mt -66.17 146.91 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -116.18 106.84 48.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 51.81 2.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.49 -25.67 23.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.3 pm0 -119.99 167.85 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.5 p -51.15 148.55 4.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.49 -48.06 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -58.1 -22.9 50.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -95.4 -16.02 22.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.519 HG11 ' CG ' ' A' ' 36' ' ' PHE . 74.6 t -92.11 -46.28 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.561 ' CE1' HG13 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.02 -11.04 60.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.68 -45.14 8.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -74.51 -27.39 60.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 64' ' ' ILE . 96.8 m-70 -102.27 -51.58 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.639 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.92 176.24 14.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.19 -33.64 15.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -83.87 105.01 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.91 166.24 25.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' CZ ' HG23 ' A' ' 18' ' ' THR . 35.6 mtp85 -119.09 135.75 54.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.3 tt -96.7 126.31 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' ALA . 2.0 pp -121.2 156.82 56.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.47 9.33 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -40.21 145.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -88.93 -50.59 6.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 44.31 65.41 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 p -116.84 -42.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.5 147.3 10.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.18 -58.39 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.8 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 108.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.68 89.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -158.34 -59.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.8 81.17 0.25 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.8 74.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.49 86.7 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.5 p -135.65 142.57 45.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.8 ttp -166.94 91.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.5 p -177.95 84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -113.8 161.2 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.603 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 27.2 m -135.81 136.17 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 p -105.85 127.28 53.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.612 ' CE2' ' CE2' ' A' ' 36' ' ' PHE . 4.3 m-85 -100.25 121.72 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.77 95.33 7.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -120.73 154.97 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -129.61 133.17 47.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.86 139.67 55.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 19' ' ' SER . 7.7 p -127.77 115.88 19.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 18' ' ' THR . 2.1 p 165.14 -31.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.04 154.14 45.11 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 55.64 3.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.6 -45.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 4.0 mm? 61.75 64.48 1.96 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -74.98 138.95 23.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -123.56 152.22 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.23 137.35 9.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 m -96.77 122.37 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 29' ' ' SER . 0.3 OUTLIER -98.58 125.72 43.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.411 ' N ' HD22 ' A' ' 28' ' ' LEU . 4.6 t -100.31 117.06 33.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 m -142.23 160.86 53.31 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.06 21.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' SER . 45.0 mt-10 -48.43 -57.52 5.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' GLU . 22.9 t -36.65 -59.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 3.8 m -43.68 145.72 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.05 146.34 32.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.612 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 4.3 t80 -66.76 -20.4 65.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 38' ' ' ALA . 5.4 t -58.12 -35.56 71.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.433 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' N ' HG23 ' A' ' 37' ' ' THR . . . -66.25 -41.53 89.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 97.2 t -48.04 -30.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.74 -64.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -51.44 -52.87 42.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.23 -60.28 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 39' ' ' VAL . . . -48.63 -45.11 37.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.471 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -49.62 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -43.68 -48.94 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -52.45 59.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -76.49 -3.95 40.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mttm 58.65 67.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 2.5 m -135.46 160.4 68.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 142.29 27.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.03 52.76 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.32 -52.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.4 p -102.08 52.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.5 p -140.9 137.26 33.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' ILE . . . -163.16 144.79 9.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.1 mt -107.23 133.9 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 2.9 pt -134.41 171.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 p -83.28 -169.33 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -96.32 34.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.66 27.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.61 78.98 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.502 ' O ' ' CG2' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -144.77 -147.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.758 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.68 113.67 0.58 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.441 ' CG2' HG11 ' A' ' 73' ' ' VAL . 35.9 mt -59.52 142.96 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -107.61 106.51 58.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 51.7 2.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.17 -32.32 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.05 174.67 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASN . 31.8 p -60.54 151.26 29.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.24 -51.57 18.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.552 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.47 -22.22 37.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' THR . 80.1 m-20 -95.03 -15.83 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 68.9 t -93.58 -46.18 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.603 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.45 -15.3 62.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 3.3 tp -89.31 -48.85 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.536 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -65.7 -43.33 89.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.536 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 92.1 m-70 -86.7 -49.77 7.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.497 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 126.34 178.71 15.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.5 p -99.91 8.19 44.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 81' ' ' LEU . 7.5 mt-10 -119.45 106.69 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -147.24 170.74 16.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -125.23 142.52 51.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 7.5 tt -96.31 110.63 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.9 pp -104.66 156.6 35.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 112.43 3.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.556 1.819 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -61.44 104.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.1 101.17 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.76 -49.65 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.8 p -93.54 141.7 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 72.12 -167.7 52.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.71 -59.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.2 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.352 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.69 87.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 110.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -154.53 159.46 40.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.62 106.0 0.2 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.17 -57.54 9.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 54.23 91.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.3 p -46.63 170.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.04 97.76 5.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.2 t -177.45 120.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.044 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -126.27 153.87 44.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.565 HG12 ' CE1' ' A' ' 74' ' ' PHE . 9.7 m -118.96 125.77 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.5 p -98.77 126.51 44.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' CE2' ' A' ' 36' ' ' PHE . 5.2 m-85 -101.16 167.31 10.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.12 99.92 3.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -118.91 153.21 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -138.73 140.92 38.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD12 ' CD1' ' A' ' 47' ' ' PHE . 2.5 tp -65.81 138.82 58.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.9 p -103.55 -35.06 8.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.457 ' HG ' ' N ' ' A' ' 20' ' ' ASP . 10.9 t -57.22 -87.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' N ' ' HG ' ' A' ' 19' ' ' SER . 3.9 m-20 -47.36 157.12 0.56 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -75.0 -165.72 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 69.6 -58.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 78.75 71.99 0.17 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.71 30.7 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -131.66 156.43 45.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' NZ ' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -155.05 130.66 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 t -98.33 121.92 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD23 ' CD1' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -93.25 162.78 13.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.46 109.52 5.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.3 m -142.96 161.96 45.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.97 122.38 7.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' PRO . 14.8 pt-20 -36.64 -46.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t -43.47 -48.79 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -56.66 146.26 57.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.92 158.76 42.31 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.584 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 2.1 t80 -79.31 -9.15 59.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 t -69.93 -35.93 74.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.18 -21.16 56.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.2 t -68.07 -43.77 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 tt -49.52 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -45.33 -58.97 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.554 ' CD1' HD23 ' A' ' 28' ' ' LEU . 1.3 t80 -48.51 -47.06 39.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -58.72 -70.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.18 -35.74 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.45 -46.68 88.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -62.86 -47.99 80.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.504 ' CD1' HD12 ' A' ' 17' ' ' LEU . 39.1 m-85 -65.43 -16.42 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 71.56 62.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.37 161.25 39.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.48 12.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.45 -13.23 57.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.64 81.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 p -118.28 37.99 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 p -121.34 155.91 33.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 84' ' ' ILE . . . -162.5 151.27 14.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.1 mt -116.14 139.72 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.3 pt -142.11 170.05 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.457 HG22 ' CD2' ' A' ' 81' ' ' LEU . 71.8 p -103.26 -166.32 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 1.7 m-20 -72.42 153.94 41.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 7.1 t0 84.82 -48.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.96 55.98 0.11 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.8 mm -119.61 122.39 68.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.42 -163.85 2.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.553 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 7.4 mt -135.9 145.37 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.71 103.57 55.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.63 2.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.97 -21.95 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -121.71 171.7 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 72' ' ' ASN . 67.8 p -59.42 151.98 22.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.32 -48.14 25.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.46 -23.91 50.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' THR . 43.5 m-20 -95.27 -14.16 24.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.496 HG12 ' CG ' ' A' ' 36' ' ' PHE . 75.7 t -93.7 -45.55 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CE1' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.63 -14.06 61.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.9 tp -90.14 -40.84 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.5 OUTLIER -74.51 -41.64 60.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.553 ' CE1' ' HA ' ' A' ' 64' ' ' ILE . 96.0 m-70 -90.32 -50.49 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 129.83 -169.83 20.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 p -102.31 -34.11 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -83.62 104.83 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 58' ' ' THR . 0.8 OUTLIER -136.82 165.97 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -121.23 139.83 52.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.466 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 3.1 tt -96.95 112.1 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.2 pp -111.06 156.5 40.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.79 8.14 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.506 1.792 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.92 107.55 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.46 97.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -67.22 -49.84 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.6 m -78.89 166.02 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.97 -177.66 18.28 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.533 1.145 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.2 -58.68 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 p -53.9 156.02 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -146.47 146.95 30.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.9 151.0 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.95 141.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.55 166.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 m 62.94 140.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 mtm 61.04 166.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -148.33 123.99 10.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -109.98 166.8 10.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.569 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 6.1 m -135.53 124.0 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.2 p -91.02 135.03 34.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' A' ' 11' ' ' VAL . 4.2 m-85 -114.25 125.34 53.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.9 95.43 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mt -110.45 159.2 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -134.7 137.07 43.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.441 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 tp -81.77 122.58 27.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.5 p -104.86 68.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.2 p -139.5 -70.12 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.98 153.55 86.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.56 5.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.53 -47.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.7 OUTLIER 66.93 64.43 0.76 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -74.94 127.79 11.01 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 5.1 p90 -80.64 153.11 28.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -131.66 143.87 50.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 t -133.45 98.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 42' ' ' PHE . 26.2 tp -97.54 149.27 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.58 111.67 15.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.83 160.96 62.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.99 126.34 9.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' PRO . 12.1 pt-20 -35.36 -47.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.79 -56.88 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -44.76 141.84 2.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.71 35.78 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CE2' ' CD2' ' A' ' 13' ' ' PHE . 2.5 t80 -71.84 -8.51 54.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 t -69.98 -35.27 74.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.64 -33.39 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.39 -47.4 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -48.59 -59.53 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -62.43 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.4 t80 -43.0 -52.13 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 -61.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' PHE . . . -42.07 -66.46 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.31 -34.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CB ' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -71.96 -43.59 64.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 26' ' ' LYS . 8.9 m-85 -83.41 9.61 10.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.18 73.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.2 163.95 22.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.6 10.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.43 49.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.66 -49.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.3 p -95.89 48.09 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -135.29 164.9 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.54 153.36 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.463 HG22 ' CD1' ' A' ' 64' ' ' ILE . 54.2 mt -115.55 143.85 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 pt -147.55 173.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.8 p -104.76 166.03 10.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 71.6 m-80 -65.41 87.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER 159.3 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.68 -35.14 3.39 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.5 mm -46.47 132.27 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.23 -166.56 41.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.567 HG22 ' CD2' ' A' ' 77' ' ' HIS . 39.4 mt -133.76 145.85 32.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -119.84 114.07 34.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 51.7 2.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.86 -27.74 30.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.448 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -117.42 177.29 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 32.4 p -63.94 158.81 21.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -51.07 -53.6 32.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.569 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.8 -20.53 33.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -94.91 -17.25 22.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.448 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 42.3 t -93.92 -45.86 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -69.34 -13.05 62.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.072 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.28 -46.13 8.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -68.19 -42.08 80.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.567 ' CD2' HG22 ' A' ' 64' ' ' ILE . 92.1 m-70 -89.72 -48.61 7.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.52 -178.25 16.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 p -101.45 3.89 40.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.411 ' O ' ' CD2' ' A' ' 81' ' ' LEU . 49.9 mt-10 -118.86 108.65 15.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.411 ' CD2' ' O ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -146.74 -177.05 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 146.26 49.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.464 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 6.3 tt -103.94 109.07 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.22 154.77 41.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 134.87 18.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -163.76 132.12 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -128.52 106.71 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -86.22 -60.32 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.0 p -163.47 -51.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.92 146.94 6.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 t -147.21 114.57 6.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 108.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.05 123.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 110.062 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -109.13 -58.84 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.8 156.76 30.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.92 94.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.12 176.61 9.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -59.82 97.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -41.03 123.58 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p -176.76 101.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -132.5 172.29 12.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG11 ' CE1' ' A' ' 74' ' ' PHE . 17.7 m -146.92 127.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.19 124.3 47.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.04 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.442 ' CD2' ' CE2' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -103.52 130.91 51.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -95.84 95.37 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -109.78 151.16 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.464 ' CG2' HD11 ' A' ' 23' ' ' LEU . 1.3 m -131.71 114.44 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.5 tp -61.02 131.07 49.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.2 p -128.89 60.89 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 20' ' ' ASP . 59.8 p -147.97 56.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 19' ' ' SER . 0.4 OUTLIER 163.4 172.15 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.1 Cg_endo -75.0 56.5 4.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -172.83 158.24 3.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.464 HD11 ' CG2' ' A' ' 16' ' ' THR . 2.7 mm? -133.15 66.5 75.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.29 30.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -123.47 153.18 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' CE ' ' HA ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -160.47 133.86 6.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.9 m -100.18 121.78 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.531 HD11 ' CD1' ' A' ' 42' ' ' PHE . 6.7 tp -103.26 124.62 48.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.71 121.92 44.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 m -141.4 158.25 64.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.9 8.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 34' ' ' THR . 17.1 pt-20 -39.07 -44.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' GLU . 6.2 t -38.47 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 2.4 m -86.65 146.58 41.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.478 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.5 Cg_endo -74.95 142.59 28.19 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CG ' HG11 ' A' ' 73' ' ' VAL . 6.9 t80 -59.74 -13.92 12.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.466 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.2 t -68.15 -29.27 68.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.52 -27.12 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.418 HG21 ' CE1' ' A' ' 13' ' ' PHE . 69.9 t -62.01 -45.1 99.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.82 -66.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -59.59 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.531 ' CD1' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -49.32 -59.51 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -45.22 -63.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.66 -61.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -51.31 -41.34 60.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' CB ' ' HE2' ' A' ' 26' ' ' LYS . 5.8 mm-40 -65.75 -20.46 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -102.25 3.62 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.24 44.08 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.2 m -134.37 156.96 78.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 123.51 7.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.38 -14.87 54.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.58 -39.77 77.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.5 p -112.04 40.57 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.2 p -119.49 155.38 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.17 149.57 23.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.9 mt -120.07 143.82 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 pt -144.52 163.06 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 p -90.25 156.76 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -61.72 88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 166.06 -30.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.83 31.5 3.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 mm -112.01 130.99 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.39 -167.11 4.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.567 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 12.6 mt -138.11 146.65 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.43 103.57 54.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.466 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 51.74 2.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.13 -6.71 27.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -131.81 170.72 14.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 19.3 p -58.94 147.07 35.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.06 -45.65 32.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.448 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -60.17 -22.57 58.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.5 m-20 -95.1 -14.63 24.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 42.1 t -93.88 -46.72 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.559 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.11 -10.84 60.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.63 -48.19 6.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.0 ptpt -72.29 -29.27 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 64' ' ' ILE . 96.3 m-70 -99.43 -50.61 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.01 -174.55 17.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 p -102.07 -36.78 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -76.39 101.97 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.08 160.7 39.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -117.17 138.75 51.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.447 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 8.1 tt -95.95 104.99 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -105.63 154.11 39.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 131.86 14.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -43.24 -58.82 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.2 t70 63.81 94.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -60.84 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.9 p -173.74 64.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 173.13 139.73 2.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -93.29 -68.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -49.84 168.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 110.046 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -94.08 131.08 39.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.22 117.55 1.24 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.52 109.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 73.94 2.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.7 p -120.54 108.21 13.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.7 124.69 44.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.9 p -140.11 94.13 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -126.85 166.83 16.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 14.9 m -132.09 150.37 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.7 p -116.29 126.38 53.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CE1' HG21 ' A' ' 11' ' ' VAL . 16.4 m-85 -102.12 121.67 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.62 95.39 6.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' LYS . 3.9 mt -121.39 145.07 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.1 m -123.8 131.71 53.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.76 127.94 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -110.79 92.96 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.387 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.4 p -170.64 -64.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.07 153.47 74.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 69.65 5.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.05 -44.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 23' ' ' LEU . 2.5 mm? 59.28 64.32 3.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.0 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -71.61 154.04 41.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -130.65 147.92 52.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 t -137.69 95.96 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.57 HD21 ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -93.97 137.13 33.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -112.69 115.41 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -145.29 161.12 43.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.77 38.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.469 ' HG2' ' CG1' ' A' ' 11' ' ' VAL . 44.6 mt-10 -55.16 -57.87 9.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -37.98 -59.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.052 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -39.29 144.52 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.347 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 157.57 42.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.451 1.763 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.525 ' CD2' HG11 ' A' ' 73' ' ' VAL . 4.6 t80 -83.56 -39.06 20.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.4 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 3.9 t -43.17 -34.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.64 -48.02 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.9 t -40.9 -38.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 1.6 tm? -55.4 -62.16 1.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -57.67 9.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -49.46 -46.71 48.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.09 -58.21 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.98 -54.99 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.97 -23.44 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' CG ' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -78.95 -39.95 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 26' ' ' LYS . 20.0 m-85 -89.87 16.13 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.56 61.63 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.85 163.8 40.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.28 20.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.809 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.21 53.15 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.05 -54.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.4 p -90.42 40.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.457 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -140.97 151.06 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -161.8 165.98 27.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.5 mt -116.74 140.0 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.4 pt -137.05 163.52 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.8 p -81.28 164.05 22.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -59.21 -42.33 90.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -19.94 38.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.59 53.2 2.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.3 mt -138.57 138.88 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.46 169.98 3.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.562 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 55.5 mt -119.65 142.87 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.34 103.8 53.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.4 Cg_endo -74.94 51.46 2.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.6 -22.36 32.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -115.96 178.46 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' ASN . 71.9 p -65.34 150.99 47.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.98 -50.76 18.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.453 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.18 -22.6 44.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.5 m-80 -95.77 -15.26 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.525 HG11 ' CD2' ' A' ' 36' ' ' PHE . 54.2 t -93.27 -47.17 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CE2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -67.85 -13.02 61.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.43 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -90.72 -59.58 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.552 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -58.17 -57.21 13.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.562 ' CE1' ' HA ' ' A' ' 64' ' ' ILE . 88.8 m-70 -71.81 -47.79 50.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.83 156.56 9.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.3 p -77.86 -47.02 19.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 0.805 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -72.96 106.19 4.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.18 176.97 8.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -123.82 144.75 49.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.7 tt -96.75 111.83 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -109.65 156.66 39.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 131.35 14.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.22 135.46 37.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.21 96.08 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.458 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -118.97 56.82 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 92.0 t 63.28 143.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.62 -149.06 19.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.6 p -113.68 98.38 7.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.334 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m 61.77 155.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 110.007 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -73.94 155.13 38.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.48 134.16 7.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -109.58 116.74 32.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 0.79 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.71 108.94 19.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.9 p -110.13 -51.15 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.2 ttt 179.98 -50.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.8 p -67.71 99.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -132.49 159.14 40.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.552 HG12 ' CE1' ' A' ' 74' ' ' PHE . 34.7 m -120.07 147.95 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 p -120.07 134.0 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.404 ' CD1' ' CE2' ' A' ' 36' ' ' PHE . 7.9 m-85 -111.59 110.76 21.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -95.19 99.25 11.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -112.15 155.18 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 23' ' ' LEU . 34.4 m -136.22 118.46 15.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 tp -54.29 148.24 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.0 p -123.38 89.99 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 p -169.08 -58.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.046 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.12 168.28 22.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -36.07 2.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.781 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -95.55 63.93 2.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 16' ' ' THR . 1.8 mp -39.2 99.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.02 158.47 42.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -116.46 154.6 30.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.542 ' HG2' ' CE2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -148.7 129.97 14.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.79 116.44 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.573 HD22 ' CE1' ' A' ' 42' ' ' PHE . 1.7 mt -91.5 173.15 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.5 p -145.08 113.3 6.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.06 163.36 33.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 132.48 15.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -45.09 -25.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -68.42 -46.79 68.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 2.8 m -52.33 144.88 21.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.98 158.85 42.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CE2' ' CD1' ' A' ' 13' ' ' PHE . 2.5 t80 -83.71 -11.2 57.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -30.37 66.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.23 -27.41 53.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' LEU . 97.8 t -61.06 -55.19 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' VAL . 4.5 tp -40.41 -61.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -45.16 -54.3 7.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' HD22 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -58.67 -58.71 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.964 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' PHE . . . -39.67 -48.4 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.459 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . -47.95 -53.29 16.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.89 -39.88 69.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.39 -32.37 70.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.542 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 20.6 m-85 -104.06 19.76 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.27 59.0 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.459 HG22 ' CA ' ' A' ' 44' ' ' ALA . 34.0 m -134.6 157.39 77.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.97 21.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.45 60.81 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.57 -49.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.2 p -98.82 36.54 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -140.33 158.44 44.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.57 155.53 19.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 65.5 mt -114.18 138.95 42.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.41 HD13 ' CA ' ' A' ' 61' ' ' GLY . 31.9 pt -131.86 162.21 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.469 ' CG2' HG23 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -107.24 173.77 6.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.455 ' N ' ' OG1' ' A' ' 58' ' ' THR . 31.9 m-20 -40.19 138.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.23 13.95 9.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' THR . . . 37.91 62.12 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.469 HG23 ' CG2' ' A' ' 58' ' ' THR . 4.8 tt -90.91 8.46 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 62' ' ' ILE . . . 58.01 116.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.482 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 84.4 mt -73.25 163.35 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -140.76 120.44 8.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.46 2.78 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.454 1.766 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.77 -30.14 36.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.6 pm0 -125.85 170.38 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' ASN . 44.8 p -55.39 152.01 9.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.43 -52.94 12.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -55.67 -22.06 31.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 69' ' ' THR . 75.9 m-20 -95.66 -17.88 20.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.425 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 75.0 t -90.98 -46.48 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.552 ' CE1' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.28 -11.04 60.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.51 -48.63 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.53 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -72.55 -29.51 63.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.53 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 95.3 m-70 -97.62 -50.24 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.637 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.57 171.2 13.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.49 -29.12 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.055 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -89.54 109.0 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mt -142.58 163.56 32.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.19 144.81 43.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.5 tt -101.24 121.66 52.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -113.75 154.8 45.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 140.27 25.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -117.07 77.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -154.25 130.29 10.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -66.05 -47.37 74.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.1 p -137.61 153.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.46 -169.8 18.21 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.4 t 57.0 108.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.047 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.331 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m 63.08 161.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 63.15 160.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.56 115.92 0.59 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -169.49 164.56 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.29 174.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 m -45.52 119.82 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ttt -74.97 108.9 8.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.65 120.38 21.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -135.49 175.53 9.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG12 ' CE1' ' A' ' 74' ' ' PHE . 29.5 m -150.26 143.66 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.5 p -113.06 121.54 44.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.963 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CE2' HG22 ' A' ' 39' ' ' VAL . 11.3 m-85 -98.62 117.19 32.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.13 98.03 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 mt -113.92 153.14 15.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 23' ' ' LEU . 42.1 m -132.55 103.04 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.13 103.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -97.01 47.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.443 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 p -109.16 6.92 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.92 160.57 30.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.24 3.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.25 -49.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HB3' ' CG2' ' A' ' 16' ' ' THR . 1.9 mp 65.41 64.08 1.01 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -74.98 108.4 2.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -91.57 149.67 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.72 133.24 6.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -89.67 129.01 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' A' ' 42' ' ' PHE . 57.2 tp -106.74 125.25 50.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.418 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 16.3 p -102.1 124.84 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.418 ' CG1' ' C ' ' A' ' 29' ' ' SER . 2.6 m -151.17 158.9 34.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -75.0 118.0 5.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' THR . 8.0 pt-20 -38.2 -46.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -38.27 -31.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.024 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.487 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 2.7 m -76.64 146.68 77.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.4 Cg_endo -75.02 124.72 8.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -43.85 -25.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.459 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.1 t -56.42 -30.89 63.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' N ' HG22 ' A' ' 37' ' ' THR . . . -71.12 -41.57 70.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.556 HG22 ' CE2' ' A' ' 13' ' ' PHE . 98.3 t -45.68 -49.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' CD1' ' OG ' ' A' ' 54' ' ' SER . 6.8 tp -48.55 -58.45 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -55.49 -58.08 9.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.56 ' CD1' HD11 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -47.58 -63.29 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.42 -58.27 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.461 ' CA ' HG23 ' A' ' 49' ' ' VAL . . . -42.05 -65.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -46.33 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -38.23 75.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -86.6 13.93 7.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.65 55.41 9.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.461 HG23 ' CA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -130.06 164.04 43.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.79 5.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.84 55.9 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.25 -47.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.5 p -103.11 46.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.414 ' OG ' ' CD1' ' A' ' 40' ' ' LEU . 10.6 p -130.1 155.9 45.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.13 153.83 18.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.7 mt -116.59 135.16 57.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 pt -127.22 171.72 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.464 ' CG2' HD11 ' A' ' 64' ' ' ILE . 72.5 p -95.17 -166.26 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -92.53 28.77 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -157.57 26.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 37.33 48.62 1.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 6.0 mt -105.38 1.94 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.51 -177.76 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.516 HD13 ' CG ' ' A' ' 77' ' ' HIS . 2.9 mm -123.0 168.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.459 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 34.9 m-20 -135.93 99.1 11.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 51.62 2.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.4 -17.63 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.1 pm0 -127.07 165.58 19.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.7 p -50.92 149.15 3.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.36 -50.11 52.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.567 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -55.86 -20.98 28.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -94.76 -16.56 22.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 71.4 t -93.75 -45.92 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -70.42 -12.54 61.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 3.8 tp -91.89 -46.18 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.483 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -72.53 -27.04 61.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.516 ' CG ' HD13 ' A' ' 64' ' ' ILE . 97.2 m-70 -102.58 -50.62 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 130.82 -168.61 21.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 p -109.31 -31.06 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -83.59 105.54 14.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.61 164.64 29.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -115.34 136.84 52.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 10.1 tt -98.71 112.4 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pp -121.75 156.72 58.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 122.62 7.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.779 . . . . 0.0 111.046 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -53.4 160.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.67 122.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -65.02 -68.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.8 m -126.13 -44.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.14 172.23 25.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.7 p 45.92 79.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 0.0 110.021 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 108.318 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -123.76 168.84 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -170.03 150.18 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.42 105.96 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.81 -62.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.6 91.07 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t -169.91 142.92 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.42 91.0 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 p -161.48 116.12 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -132.75 168.76 17.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.582 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 15.9 m -140.14 133.15 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.6 m -99.8 141.41 32.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CE1' ' CE2' ' A' ' 36' ' ' PHE . 7.5 m-85 -116.67 110.57 18.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -87.63 95.3 10.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 mt -113.71 136.65 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -112.56 112.72 24.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 47' ' ' PHE . 11.7 tp -54.95 128.4 33.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -99.85 -25.7 14.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.361 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -52.72 -45.29 66.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.26 155.03 60.33 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -45.76 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -47.09 -30.77 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.414 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.2 OUTLIER 57.37 64.63 4.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.04 164.36 33.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -113.95 151.82 31.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -137.06 145.24 43.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.48 95.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 42' ' ' PHE . 6.0 tp -93.62 140.01 30.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.12 117.73 34.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -136.76 160.12 67.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.74 18.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 33' ' ' SER . 29.2 mt-10 -40.85 -58.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.2 m -37.26 -64.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 2.8 m -38.09 143.27 0.42 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.93 146.62 33.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CE2' ' CE1' ' A' ' 13' ' ' PHE . 4.3 t80 -66.13 -25.38 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.419 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 2.3 t -53.65 -35.31 60.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.9 87.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.513 HG23 ' CE2' ' A' ' 13' ' ' PHE . 86.1 t -50.6 -52.29 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tp -47.02 -62.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -48.72 -63.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.551 ' CD1' HD11 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -44.04 -63.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.4 -57.73 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.455 ' CA ' HG23 ' A' ' 49' ' ' VAL . . . -44.97 -58.44 3.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -34.72 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.35 -31.02 71.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 26' ' ' LYS . 8.3 m-85 -94.31 -6.24 44.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.08 60.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.455 HG23 ' CA ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -136.32 162.22 57.7 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.42 10.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.2 72.0 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.24 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.4 p -99.9 38.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.5 p -137.14 156.01 48.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.15 145.85 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 53.3 mt -103.83 143.11 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.455 ' CG2' ' HA2' ' A' ' 63' ' ' GLY . 5.1 pt -137.12 158.57 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.456 HG23 ' CD1' ' A' ' 64' ' ' ILE . 42.8 p -70.0 173.34 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.438 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -65.32 -13.85 59.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.51 -5.94 23.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.94 63.21 4.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.469 1.106 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.532 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 1.2 mm -117.98 1.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 57' ' ' ILE . . . 72.99 161.87 6.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.57 HG21 ' CD2' ' A' ' 77' ' ' HIS . 5.4 mm -109.69 164.79 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -133.26 99.63 14.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.97 51.2 2.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.43 -17.47 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.427 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -123.28 -175.43 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 72' ' ' ASN . 30.1 p -71.22 147.27 48.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.36 -51.24 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.464 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.13 -23.96 19.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' THR . 13.2 m-20 -95.53 -20.11 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.509 HG12 ' CG ' ' A' ' 36' ' ' PHE . 75.2 t -86.4 -45.74 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.582 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -73.3 -14.35 61.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.5 tp -91.72 -47.47 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.7 ptmt -69.43 -39.34 77.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.57 ' CD2' HG21 ' A' ' 64' ' ' ILE . 89.7 m-70 -92.39 -51.57 5.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.638 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 130.21 174.84 13.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -93.4 -40.81 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.989 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.88 102.81 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.31 176.65 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.47 144.36 51.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.4 tt -100.4 124.35 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.7 156.74 79.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.57 10.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -82.13 -23.25 35.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 173.92 118.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.428 ' HD2' ' CG1' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -142.74 -46.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.428 ' CG1' ' HD2' ' A' ' 88' ' ' ARG . 20.1 m -42.37 120.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.84 -119.19 0.57 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.554 1.159 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.4 t -139.86 83.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 110.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 108.317 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -154.13 145.56 23.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 109.972 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -156.6 158.37 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.61 113.8 1.66 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.68 166.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.35 119.98 39.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.452 ' HB ' ' CE ' ' A' ' 10' ' ' LYS . 54.6 m -77.39 148.97 35.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mtm -82.07 156.36 24.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.2 p 39.98 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' CE ' ' HB ' ' A' ' 7' ' ' THR . 17.6 mttt -123.15 173.11 8.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.573 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 17.2 m -138.95 136.24 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 p -109.16 124.71 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -105.04 135.04 47.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -109.31 98.54 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 mt -119.96 158.28 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.5 m -135.88 124.12 23.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -62.7 128.7 37.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -106.04 90.5 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p -179.15 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.92 149.23 98.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 65.04 6.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 172.05 -33.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp 64.16 77.76 0.3 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.08 42.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -124.97 154.19 41.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.86 134.65 18.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 t -91.93 115.65 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -92.43 164.09 13.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.2 p -145.62 115.31 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.26 161.34 45.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -75.01 123.76 8.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' PRO . 7.2 pt-20 -35.76 -46.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -42.28 -55.16 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.442 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 1.1 m -47.67 138.84 9.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.32 33.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.81 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CD2' HG11 ' A' ' 73' ' ' VAL . 2.3 t80 -61.93 -16.38 50.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 t -65.12 -33.34 75.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.92 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.9 t -60.28 -42.57 91.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.19 -53.11 38.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -61.37 -60.43 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.552 ' CE1' HD23 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -47.36 -63.01 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.79 -52.36 3.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.427 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -46.29 -67.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.57 -33.4 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -41.91 97.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -94.18 1.44 56.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mttp 65.46 40.33 4.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.427 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 25.9 m -119.67 157.18 52.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.5 25.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.72 39.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.53 -48.42 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.4 p -98.32 34.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.0 m -131.39 156.32 45.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 84' ' ' ILE . . . -162.73 157.01 21.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.2 mt -107.32 151.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.1 pt -152.23 179.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.453 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 48.4 p -106.25 -172.03 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -89.78 15.78 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -127.19 21.37 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.5 51.36 43.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.5 mm -134.95 125.19 45.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.26 -171.23 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.476 ' CD1' ' ND1' ' A' ' 77' ' ' HIS . 19.8 mm -134.39 145.18 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.58 100.98 44.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 51.15 2.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.7 -13.22 43.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.35 179.9 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.4 p -68.21 150.43 48.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -48.79 -48.02 41.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.559 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -59.1 -20.27 49.02 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.76 -17.68 21.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.557 HG11 ' CD2' ' A' ' 36' ' ' PHE . 30.5 t -93.81 -45.67 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.72 -14.14 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.516 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 4.0 tp -91.25 -58.67 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.566 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -56.65 -58.2 9.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.566 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 91.8 m-70 -74.67 -47.45 31.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.5 157.89 9.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -44.78 36.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -67.64 104.42 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.24 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.48 166.22 25.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -116.39 146.69 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.7 tt -100.78 113.02 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 55' ' ' ALA . 1.7 pp -109.13 156.69 38.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 132.88 15.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.452 ' HG2' ' CG1' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -93.7 85.59 4.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -124.43 106.44 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.1 85.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.452 ' CG1' ' HG2' ' A' ' 86' ' ' ARG . 11.5 p -174.69 58.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.0 -153.12 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.19 141.7 9.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.314 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -126.76 84.91 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 109.982 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.69 123.71 27.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.04 121.79 1.24 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.13 -61.26 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -135.27 95.5 3.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.6 m -150.63 86.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 mtt -93.13 113.24 25.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.92 94.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -131.5 165.12 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.621 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 27.5 m -138.47 131.06 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 p -96.49 129.48 43.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.498 ' CE2' HG21 ' A' ' 39' ' ' VAL . 8.8 m-85 -103.17 111.02 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.79 95.47 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 mt -126.74 156.83 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.5 m -130.13 132.67 46.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -51.26 98.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 m -82.76 76.13 9.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.2 p -171.0 -54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.32 165.57 43.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -46.59 -42.47 16.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 0.8 OUTLIER 58.41 64.56 3.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -75.01 154.88 42.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -119.03 152.61 36.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' NZ ' ' HA ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -159.44 129.19 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 m -94.9 125.41 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 42' ' ' PHE . 55.8 tp -102.28 128.96 48.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -101.95 119.71 39.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -141.03 160.26 58.77 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.57 14.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' SER . 32.5 mt-10 -42.07 -55.96 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLU . 13.4 p -37.65 -56.23 1.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 17.7 m -50.32 144.69 11.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.97 161.56 38.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.455 ' CE2' ' CD1' ' A' ' 13' ' ' PHE . 3.7 t80 -79.27 -14.31 59.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 t -66.56 -30.6 70.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.44 -29.45 62.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 13' ' ' PHE . 81.6 t -60.5 -42.07 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -64.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -44.94 -61.36 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -47.46 -60.64 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 26' ' ' LYS . . . -46.42 -56.84 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -44.61 -69.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.81 -46.74 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -44.95 61.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -87.86 17.49 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptt 48.1 55.84 8.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 16.3 m -132.37 157.39 78.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.25 15.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.555 1.818 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.79 50.38 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.17 -50.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.0 p -96.89 46.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 m -138.67 158.02 45.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 110.058 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.15 159.89 23.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 89.8 mt -121.34 136.25 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.1 pt -133.24 173.95 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.5 p -94.61 -169.37 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.8 -20.18 59.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.14 14.67 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 45.83 57.61 5.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.452 ' O ' ' CG2' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -98.14 5.0 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 0.742 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 62' ' ' ILE . . . 58.63 118.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.17 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.467 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 27.7 mt -74.1 143.9 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.774 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.69 107.2 44.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.29 2.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.29 -24.14 26.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -117.84 -176.03 2.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' ASN . 47.7 p -71.86 149.04 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.2 -50.65 15.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.7 -24.79 26.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' THR . 2.1 m-20 -96.21 -19.73 19.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.783 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.4 t -85.52 -46.57 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.621 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.43 -13.77 61.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.5 tp -91.29 -48.8 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.481 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -66.34 -44.42 83.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.481 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 95.0 m-70 -87.02 -50.41 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.59 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 129.3 -176.26 18.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.6 p -97.86 -28.66 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -89.52 107.96 19.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -142.94 179.21 7.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -128.19 148.6 50.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 8.6 tt -113.04 106.63 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pp -106.96 155.27 39.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.27 25.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -93.59 97.9 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.25 94.63 9.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -95.76 -61.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.52 140.37 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.92 88.02 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.443 1.09 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.0 p -95.54 154.09 17.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.49 127.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 109.96 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.72 127.05 31.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.26 121.81 5.75 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.83 168.73 13.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 0.734 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.58 84.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 t -59.56 151.66 23.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.2 ttp -172.26 104.36 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m 43.25 78.68 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.976 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -125.93 173.26 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.565 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 33.5 m -135.22 153.57 34.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.5 p -118.91 128.88 54.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -106.81 125.52 51.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.72 95.46 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -111.91 143.7 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -121.92 108.86 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tp -50.83 122.82 7.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -124.6 58.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -137.75 -57.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -69.67 173.89 3.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.0 55.76 4.05 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -173.91 168.16 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.356 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -130.49 69.33 82.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.01 6.5 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -131.16 154.42 48.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.77 149.27 51.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.5 t -137.65 95.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -93.24 137.88 32.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.32 108.29 14.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 m -136.99 158.21 73.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -74.99 139.05 23.84 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' SER . 27.4 mt-10 -38.8 -57.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -37.21 -64.15 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 2.7 m -38.65 142.92 0.48 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.0 157.1 42.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.502 ' CG ' HG12 ' A' ' 73' ' ' VAL . 4.5 t80 -80.42 -11.35 59.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.7 t -68.87 -36.17 77.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.41 -31.28 71.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.3 t -58.62 -54.16 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' CG ' HD11 ' A' ' 56' ' ' ILE . 1.9 tt -46.61 -62.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -49.64 -62.73 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.558 ' CD1' HD21 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -43.79 -52.59 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.37 80.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -63.6 -66.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -46.48 -35.07 5.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.96 -37.79 75.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CB ' HG23 ' A' ' 49' ' ' VAL . 2.2 m-85 -90.71 22.34 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER 40.51 56.03 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 2.5 m -131.15 160.35 67.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.35 54.92 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.5 -54.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.58 55.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.77 154.88 47.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.71 139.46 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.45 HD11 ' CG ' ' A' ' 40' ' ' LEU . 15.9 mt -95.03 136.52 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 pt -131.04 162.39 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 p -92.62 157.32 16.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.7 m-20 -65.86 84.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 22.9 t0 175.72 -34.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.51 51.13 0.59 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.5 mm -140.5 140.84 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.225 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.14 -178.03 48.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.472 ' CG2' HG11 ' A' ' 73' ' ' VAL . 13.0 mt -127.06 141.99 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -110.66 101.67 49.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 51.5 2.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.5 -16.7 28.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.47 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -117.87 -169.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 72' ' ' ASN . 21.0 p -77.12 145.96 37.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.34 -47.41 25.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.56 -24.27 46.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' CB ' ' HG3' ' A' ' 68' ' ' GLN . 69.9 m-20 -94.96 -14.95 23.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.502 HG12 ' CG ' ' A' ' 36' ' ' PHE . 53.2 t -92.35 -47.32 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CE2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.48 -13.38 62.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.4 tp -91.2 -51.27 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.496 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 13.2 ptmt -67.75 -45.62 74.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.496 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 86.6 m-70 -83.04 -46.06 13.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 122.53 175.48 14.72 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.9 p -92.67 -44.16 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -76.53 107.23 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.5 179.99 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -131.51 145.14 51.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.4 tt -97.3 117.72 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.56 158.02 57.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 151.28 39.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -71.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -178.21 146.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.523 ' O ' ' C ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 70.42 81.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.349 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.523 ' C ' ' O ' ' A' ' 88' ' ' ARG . 10.0 p 31.03 67.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.28 71.48 1.5 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.7 97.86 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.99 130.08 49.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.743 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.83 157.41 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.6 148.87 19.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.9 166.07 33.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -144.43 68.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -149.5 141.13 23.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.98 104.89 8.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.98 93.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.45 165.03 13.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.578 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 27.5 m -137.88 139.6 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 p -107.87 132.88 52.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CD2' HG22 ' A' ' 39' ' ' VAL . 2.2 m-85 -107.56 120.56 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -93.87 99.92 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -113.65 143.97 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.458 HG21 ' CD1' ' A' ' 23' ' ' LEU . 1.2 t -129.77 121.53 27.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.36 105.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.2 p -89.64 63.78 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.3 p -178.77 61.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t70 179.99 143.0 0.36 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 58.94 5.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -164.19 -44.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' HG21 ' A' ' 16' ' ' THR . 1.7 mm? 67.4 64.34 0.71 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.0 129.45 12.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -118.81 152.16 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 139.61 13.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.0 m -101.49 134.69 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.8 tp -116.2 113.52 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -91.37 125.52 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.9 m -147.29 158.99 43.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 124.41 8.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.47 ' CG ' ' HA3' ' A' ' 71' ' ' GLY . 44.1 mt-10 -39.77 -47.83 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLU . 2.7 p -39.15 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.485 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 19.1 m -80.01 144.76 59.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.03 153.39 41.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.793 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.466 ' CG ' HG13 ' A' ' 73' ' ' VAL . 2.6 t80 -78.0 -10.05 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -64.83 -31.77 73.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -73.72 -65.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.535 HG22 ' CD2' ' A' ' 13' ' ' PHE . 2.0 p -34.41 -48.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 2.5 tp -44.81 -60.8 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -61.79 -58.79 6.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -39.19 -57.65 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.93 -50.8 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -44.81 -54.05 6.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.14 -33.03 68.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -14.92 61.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -110.71 3.8 19.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mttt 62.18 27.99 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 32.2 m -110.93 157.33 38.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 134.63 18.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.3 52.23 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.95 -50.37 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.5 p -94.97 41.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -133.44 158.2 43.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.24 130.67 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 40' ' ' LEU . 93.4 mt -98.05 130.65 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.407 ' CD1' ' HA2' ' A' ' 61' ' ' GLY . 6.3 pt -134.29 163.52 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.9 p -84.49 163.56 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -53.27 -32.79 50.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -65.27 -16.65 63.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.407 ' HA2' ' CD1' ' A' ' 57' ' ' ILE . . . 86.39 48.99 4.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 mm -134.76 137.36 51.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.85 -164.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.413 HD11 ' ND1' ' A' ' 77' ' ' HIS . 5.3 mm -131.28 167.63 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.446 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 5.3 m120 -137.31 104.85 8.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.95 51.11 2.68 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.73 -15.73 29.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 65' ' ' ASN . 1.2 pm0 -128.73 -176.15 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.408 ' OG1' ' ND2' ' A' ' 72' ' ' ASN . 61.4 p -70.07 149.31 47.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -47.86 -46.91 31.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.509 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -58.98 -22.93 56.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.408 ' ND2' ' OG1' ' A' ' 69' ' ' THR . 22.3 m-20 -94.8 -14.81 24.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.737 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.466 HG13 ' CG ' ' A' ' 36' ' ' PHE . 40.9 t -94.1 -47.66 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -68.52 -14.19 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.3 tp -91.23 -58.14 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -58.48 -44.93 89.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.444 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 92.5 m-70 -84.4 -46.09 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.568 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 119.6 164.59 12.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.4 p -81.69 -38.33 25.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -75.57 105.96 6.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.5 167.35 22.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.0 143.51 50.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.6 tt -97.67 117.72 42.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -107.48 156.54 37.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.75 5.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -61.58 -50.17 73.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.3 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -55.59 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.0 p -114.35 155.75 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.26 165.36 2.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.2 m -131.8 122.26 25.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m -89.64 170.27 10.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.74 -59.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.32 -175.87 25.18 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -178.05 -60.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.29 170.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.1 m -93.1 83.07 4.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.25 85.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 178.16 117.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -134.81 165.08 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.566 ' HB ' ' CD2' ' A' ' 74' ' ' PHE . 28.6 m -135.59 137.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 p -113.93 137.6 51.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.04 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.692 ' CE1' ' CE2' ' A' ' 36' ' ' PHE . 14.6 m-85 -105.97 110.62 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -89.91 95.54 10.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.1 mt -113.24 149.0 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 23' ' ' LEU . 43.6 m -135.03 125.39 26.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 48.7 tp -52.51 144.6 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.435 ' O ' ' CB ' ' A' ' 19' ' ' SER . 46.7 p -127.78 101.5 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' THR . 4.0 p 163.93 -49.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 110.01 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.32 171.35 6.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.02 -169.47 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' PRO . 27.6 mtp180 37.31 58.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' HB3' ' CG2' ' A' ' 16' ' ' THR . 4.8 mp -37.29 98.07 0.15 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.99 139.67 24.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -117.64 153.13 33.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.06 154.5 44.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.7 t -127.79 99.12 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' CD1' ' HG3' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -91.42 113.38 25.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.471 ' O ' ' CG1' ' A' ' 30' ' ' VAL . 58.7 p -94.55 132.55 39.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 29' ' ' SER . 35.2 m -156.52 157.78 31.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 122.26 7.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -38.29 -46.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 p -40.48 -38.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 3.0 m -70.57 145.65 92.9 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 110.455 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.02 160.57 39.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CE2' ' CE1' ' A' ' 13' ' ' PHE . 2.4 t80 -87.71 -10.87 49.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -34.93 77.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -70.21 -66.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.2 p -35.93 -42.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 1.9 tm? -40.46 -53.77 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ALA . 6.0 mttt -69.87 -58.14 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' ALA . 1.2 t80 -41.27 -53.73 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -40.05 -53.22 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.452 ' CA ' HG22 ' A' ' 49' ' ' VAL . . . -45.25 -51.19 11.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -32.61 69.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -66.99 -19.17 65.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 17' ' ' LEU . 10.9 m-85 -112.89 -0.61 14.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mttt 65.72 49.89 1.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.452 HG22 ' CA ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -128.74 161.42 57.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.69 28.09 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.47 54.26 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.77 -52.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.4 p -91.23 40.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -138.02 147.03 43.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -159.95 135.71 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.414 ' CD1' HD21 ' A' ' 40' ' ' LEU . 51.1 mt -103.64 134.54 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CG2' ' HA2' ' A' ' 63' ' ' GLY . 4.2 pt -136.68 177.16 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.3 p -97.72 -178.57 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.8 OUTLIER -80.39 88.85 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 3.4 m-20 159.0 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.34 -30.41 4.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.96 140.4 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' A' ' 57' ' ' ILE . . . -81.19 -157.21 16.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.56 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 7.7 mm -127.57 149.57 32.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 0.746 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.448 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 8.1 m120 -124.88 103.86 30.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.7 2.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.14 -15.47 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.46 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.7 pm0 -127.22 177.21 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 72' ' ' ASN . 24.9 p -66.28 152.82 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.5 -53.55 11.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.508 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -54.91 -21.89 25.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.1 m-20 -94.79 -18.73 20.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 0.736 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.469 HG12 ' CB ' ' A' ' 36' ' ' PHE . 61.2 t -90.92 -46.68 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.89 -14.48 62.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.533 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.4 tp -91.45 -53.32 4.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.464 ' CG ' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -63.55 -42.22 98.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.56 ' CE1' ' HA ' ' A' ' 64' ' ' ILE . 89.8 m-70 -86.75 -48.29 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.634 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.32 161.22 10.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 p -79.83 -51.97 8.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.18 101.9 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.45 170.26 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -122.07 139.91 53.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 2.1 tt -96.22 116.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.04 155.58 41.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 114.1 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -66.24 143.9 56.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.32 95.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.1 mtt-85 -45.15 -52.54 9.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.4 p -171.28 141.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 165.82 161.34 14.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.3 p -66.37 120.83 14.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 110.021 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -106.53 163.93 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 41.48 88.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.11 142.98 11.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.37 161.72 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.23 63.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -123.03 121.53 36.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.456 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.21 84.8 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -130.58 88.45 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.011 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.31 171.16 12.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.631 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 26.9 m -147.97 140.51 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 p -112.99 124.88 53.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CD1' ' CE2' ' A' ' 36' ' ' PHE . 3.2 m-85 -96.37 117.04 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 95.87 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -110.86 154.6 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -133.85 112.77 11.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.95 135.61 57.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.6 p -122.44 100.55 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 p 178.36 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -94.08 149.56 37.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 55.53 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -152.33 -45.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 3.3 mp 67.38 64.3 0.71 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.0 146.72 32.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -124.83 149.78 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 0.9 OUTLIER -153.12 133.78 13.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -98.53 126.16 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.48 123.04 44.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.41 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 52.3 p -97.64 124.9 42.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 29' ' ' SER . 3.3 m -152.1 158.9 33.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.44 17.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' SER . 27.8 mt-10 -40.28 -56.54 1.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -36.06 -63.76 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 m -39.25 141.57 0.65 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 158.44 42.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.456 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.6 t80 -84.47 -11.23 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.458 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 4.6 t -62.06 -34.16 75.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -71.29 -66.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.1 p -35.69 -46.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 1.4 tp -42.89 -62.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HA ' ' CB ' ' A' ' 51' ' ' ALA . 5.1 mtpp -61.69 -55.84 26.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' ALA . 1.3 t80 -41.75 -54.9 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -40.43 -61.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' PHE . . . -40.82 -63.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -45.34 -37.79 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -67.59 -37.15 82.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 26' ' ' LYS . 31.4 m-85 -90.79 2.69 55.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.8 69.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -158.5 162.59 26.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.93 6.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' CB ' ' HA ' ' A' ' 41' ' ' LYS . . . -79.31 -38.11 36.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.9 -40.93 23.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.5 p -105.8 44.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.0 p -125.69 163.24 23.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.62 137.74 11.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 40' ' ' LEU . 97.4 mt -114.46 121.28 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.0 pt -117.19 170.22 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -86.47 -169.37 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -93.24 31.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.69 31.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 49.49 49.35 33.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.0 mm -132.66 135.82 56.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.05 -174.88 14.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.42 HG23 ' NE2' ' A' ' 77' ' ' HIS . 61.7 mt -131.93 149.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.4 112.81 23.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.458 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 51.48 2.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.771 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.56 -23.83 39.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -124.08 172.06 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.7 p -55.97 151.46 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.86 -44.01 49.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.406 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.64 -24.88 54.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -95.45 -16.47 22.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -89.88 -46.27 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.03 -13.51 61.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.6 tp -91.46 -52.7 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.504 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -64.45 -41.43 96.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.504 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 90.8 m-70 -88.42 -48.25 7.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 109.621 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.62 171.9 13.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 p -94.49 -3.3 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -109.24 103.88 12.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.266 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.33 166.28 25.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -123.38 142.43 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.437 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 2.8 tt -96.1 109.8 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pp -106.55 156.73 36.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 88' ' ' ARG . 18.3 Cg_endo -75.04 127.95 11.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -77.11 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -158.81 110.99 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 85' ' ' PRO . 5.4 mtt85 -120.25 57.25 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.1 m -94.25 114.72 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.72 -126.7 3.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.7 t -82.14 121.73 26.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.055 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 108.315 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 51.64 93.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 0.0 109.991 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.41 113.92 27.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.25 118.94 0.22 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 97.55 3.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.59 78.11 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.9 m -62.31 142.76 57.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -142.75 -52.7 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 p -154.66 91.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -120.94 168.7 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.56 HG11 ' CE1' ' A' ' 74' ' ' PHE . 17.4 m -137.18 122.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 t -98.24 138.49 35.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CE1' HG21 ' A' ' 39' ' ' VAL . 6.4 m-85 -113.08 147.06 38.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.19 95.64 4.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 mt -114.11 148.87 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.416 ' O ' ' CG2' ' A' ' 18' ' ' THR . 17.8 m -125.66 120.84 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.5 tp -56.34 133.19 52.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 16' ' ' THR . 14.1 p -133.71 92.04 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -178.37 -38.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.6 172.5 6.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.94 55.57 3.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -173.58 -174.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD23 ' CG2' ' A' ' 16' ' ' THR . 0.3 OUTLIER -156.99 64.4 3.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.03 124.35 8.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.539 1.81 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -74.01 155.03 39.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -131.26 145.84 52.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.68 97.93 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -91.47 163.02 14.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.29 116.21 9.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 m -145.87 158.38 49.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.97 128.76 11.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' PRO . 8.3 pt-20 -36.07 -45.33 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.27 -52.65 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 3.5 m -48.35 145.78 5.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.98 150.62 38.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.593 1.839 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.479 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 3.8 t80 -71.04 -25.15 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 t -55.89 -32.85 64.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.11 75.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 13' ' ' PHE . 97.5 t -53.08 -38.19 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 tp -62.33 -63.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -47.09 -48.61 22.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.549 ' CD1' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -61.29 -60.31 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.402 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -43.73 -49.93 7.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.36 -66.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.0 -38.12 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -47.76 80.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 26' ' ' LYS . 8.8 m-85 -84.0 10.83 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.22 60.34 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.85 160.81 67.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 135.7 19.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.77 55.35 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.61 -54.63 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.0 p -91.81 32.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -132.33 156.42 46.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.21 152.48 14.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.2 mt -110.14 133.47 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.447 ' CD1' ' C ' ' A' ' 60' ' ' ASP . 15.7 pt -141.63 160.4 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.426 ' CG2' ' CD2' ' A' ' 81' ' ' LEU . 20.7 p -91.0 141.53 28.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.415 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 61' ' ' GLY . 7.1 m120 46.93 27.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.447 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 0.7 OUTLIER 54.57 16.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 59' ' ' ASN . . . -118.34 -87.16 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.82 140.63 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.424 ' HA2' ' CG2' ' A' ' 57' ' ' ILE . . . -86.05 -160.32 33.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.573 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 21.4 mt -142.1 144.97 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.62 107.89 42.1 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 52.03 2.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.56 -16.43 34.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.457 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.1 pm0 -127.38 -175.61 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' ASN . 26.1 p -69.56 148.81 48.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.19 -55.68 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.32 -21.15 11.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' THR . 8.1 m-20 -95.5 -19.73 19.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 72.7 t -88.92 -46.61 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.56 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.91 -10.87 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tp -92.16 -40.83 10.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.531 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.7 OUTLIER -82.08 -28.18 32.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 64' ' ' ILE . 96.8 m-70 -99.95 -40.38 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 112.35 176.91 19.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.24 -16.1 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -94.85 102.68 14.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' CD2' ' CG2' ' A' ' 58' ' ' THR . 0.5 OUTLIER -141.43 175.42 9.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.8 151.83 51.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.6 tt -98.06 133.78 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pp -133.1 156.81 79.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.94 5.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.2 120.52 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -123.21 110.71 15.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.44 60.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 m -97.75 131.69 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -121.15 -173.57 14.7 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.4 t -151.31 116.23 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 0.793 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -86.11 83.29 7.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.84 145.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.41 96.13 1.39 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.86 168.82 14.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.57 162.97 29.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -152.19 -46.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.08 133.51 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.56 115.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -127.52 166.21 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.564 HG11 ' CE1' ' A' ' 74' ' ' PHE . 30.2 m -141.47 129.24 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.83 122.42 46.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -98.81 118.24 35.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.47 103.14 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.75 156.66 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -138.66 127.0 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.535 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 8.8 tp -63.82 147.84 50.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -129.12 20.29 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.7 p -107.3 -36.13 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.75 145.39 36.81 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.79 3.76 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -150.79 -45.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 4.8 mp 65.81 63.89 0.96 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.1 Cg_endo -75.07 175.52 11.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -131.62 152.77 50.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -160.53 130.4 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.6 m -102.22 127.26 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.96 116.77 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 p -94.9 122.52 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 m -152.85 158.21 33.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.98 123.71 8.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -38.44 -46.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 p -40.0 -37.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.959 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 4.0 m -70.43 145.85 93.46 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.4 Cg_endo -75.02 157.03 42.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CG ' HG13 ' A' ' 73' ' ' VAL . 2.5 t80 -82.0 -12.16 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.471 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.2 t -61.34 -33.86 74.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -71.74 -67.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 36' ' ' PHE . 2.1 p -35.93 -45.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 5.8 tt -45.26 -66.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -58.72 -54.01 51.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -43.61 -46.84 7.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.5 37.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.93 -59.66 3.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -51.69 -35.17 41.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -30.37 71.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 17' ' ' LEU . 10.9 m-85 -95.25 -5.6 43.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 75.39 49.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.58 164.65 41.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 138.35 23.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.64 50.32 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.42 -50.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.5 p -96.97 44.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.9 m -135.32 153.41 51.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.26 131.85 8.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.502 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 92.3 mt -102.48 121.74 53.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 pt -120.93 169.39 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.4 p -85.5 -167.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -92.05 19.41 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -131.23 35.29 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 40.48 57.71 2.66 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.8 mm -139.44 137.23 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.97 -170.47 6.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.564 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 17.7 mt -132.3 144.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.441 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.0 t30 -120.77 112.18 33.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.98 51.74 2.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.35 -15.58 42.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 65' ' ' ASN . 1.6 pm0 -130.53 -174.55 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 p -72.9 154.55 40.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.16 -54.29 17.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.498 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.97 -21.56 17.41 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.38 -19.32 20.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 0.807 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.501 HG13 ' CG ' ' A' ' 36' ' ' PHE . 17.8 t -89.31 -46.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.32 -10.69 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.7 -44.47 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.557 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -77.95 -30.27 50.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 64' ' ' ILE . 93.1 m-70 -96.65 -41.54 8.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 117.25 175.81 17.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.0 p -92.98 -36.81 12.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 110.061 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -84.71 107.94 17.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.49 166.64 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -121.79 137.59 54.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.425 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 4.2 tt -97.35 113.73 32.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -113.44 154.62 45.42 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.24 5.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.4 142.31 28.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -157.39 104.32 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.87 49.95 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.4 t -122.72 96.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.56 -100.62 0.25 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.108 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 t -81.88 100.64 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.284 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m 49.69 87.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 109.972 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -128.68 140.15 51.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.36 162.7 33.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.03 121.92 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -155.29 99.91 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 m -94.53 -61.59 1.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.87 87.15 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 p -177.88 95.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -132.37 168.17 18.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 74' ' ' PHE . 30.3 m -131.52 127.21 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -99.95 128.02 46.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CZ ' HG22 ' A' ' 11' ' ' VAL . 6.9 m-85 -104.26 110.16 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -92.37 95.41 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -108.46 125.8 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -110.88 111.18 22.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.84 142.09 46.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p -117.95 62.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.69 -45.45 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.39 166.94 11.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.21 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -23.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 49.46 79.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 112.4 3.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -85.88 148.71 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 1.2 tmtm? -124.79 142.45 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.54 99.87 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -98.1 145.96 26.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -115.49 112.83 22.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.3 m -136.1 160.71 66.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.03 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.52 -40.28 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.6 p -54.27 -46.36 72.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 13.6 m -54.27 145.17 37.44 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.0 159.23 41.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.525 ' CE2' ' CD1' ' A' ' 13' ' ' PHE . 2.5 t80 -85.03 -9.89 57.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.469 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 2.4 t -65.28 -33.35 75.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -72.38 -65.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.471 ' C ' ' O ' ' A' ' 38' ' ' ALA . 2.0 p -34.12 -46.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.27 -68.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -47.93 -55.95 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -41.79 -61.39 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -45.0 -59.43 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -40.02 -65.9 0.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.4 -50.49 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.97 -48.69 72.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 23.4 m-85 -69.76 -5.71 27.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.68 59.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.29 157.56 75.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.27 33.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.41 54.8 2.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.04 -48.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.5 p -93.28 43.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 p -136.68 143.26 43.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.16 119.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.1 mt -90.0 118.82 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.1 pt -120.1 135.38 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 59' ' ' ASN . 1.1 t -87.23 170.73 11.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' N ' ' OG1' ' A' ' 58' ' ' THR . 68.1 m-20 -61.43 88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.23 -30.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 50.33 1.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -128.38 117.49 45.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.73 -13.95 20.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.567 HG22 ' CD2' ' A' ' 77' ' ' HIS . 9.7 mt 76.23 141.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -118.57 119.43 32.78 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.469 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 51.87 2.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.29 -24.94 31.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -121.39 -174.5 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' ASN . 30.2 p -73.66 151.32 40.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.97 -52.75 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.518 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -55.98 -21.92 32.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' THR . 17.2 m-20 -95.2 -17.32 21.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 77.1 t -92.1 -46.69 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.557 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.47 -10.93 60.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.963 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.8 -48.55 6.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.3 ptpt -72.59 -29.05 63.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.577 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 94.4 m-70 -99.55 -50.62 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.593 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 126.47 173.22 13.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.1 p -88.57 -37.54 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.783 . . . . 0.0 110.007 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.466 ' O ' ' CD2' ' A' ' 81' ' ' LEU . 25.4 mt-10 -85.83 120.0 26.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -147.86 169.39 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.93 134.26 55.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.42 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 6.2 tt -95.61 113.66 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -108.1 156.46 38.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.042 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -74.68 153.02 39.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -107.03 88.2 2.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.76 -54.23 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.67 169.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.36 71.16 0.24 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -75.78 78.8 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.275 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.38 -58.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 48.6 90.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.39 -152.47 5.74 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.57 101.04 13.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.9 -58.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.6 m 42.8 83.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.412 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.32 -56.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m -152.77 101.18 2.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.59 165.38 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.531 HG12 ' CE1' ' A' ' 74' ' ' PHE . 3.8 m -136.07 133.43 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 p -100.71 134.25 43.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 8.2 m-85 -114.89 131.84 56.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 95.44 5.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 16' ' ' THR . 3.5 mt -112.25 147.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.412 ' N ' HG22 ' A' ' 15' ' ' ILE . 4.8 m -131.33 125.44 32.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -61.27 109.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 p -94.37 75.92 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.0 p -155.25 -66.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.955 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.07 149.84 87.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 74.12 4.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -160.14 -43.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 66.72 66.02 0.72 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.72 6.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -82.79 153.77 25.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.93 145.44 48.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.7 t -133.33 95.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.46 HD13 ' CD1' ' A' ' 42' ' ' PHE . 14.6 tp -97.69 144.24 27.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.07 120.14 32.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 110.04 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.91 158.95 44.57 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.71 8.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 34' ' ' THR . 14.6 pt-20 -39.24 -45.46 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.9 p -39.12 -30.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 35' ' ' PRO . 53.7 m -81.38 144.02 52.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.93 160.21 40.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.28 -36.82 58.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 38' ' ' ALA . 8.7 t -43.89 -35.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.424 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' N ' HG22 ' A' ' 37' ' ' THR . . . -70.12 -47.09 63.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.0 t -41.36 -43.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.422 ' CD2' HD12 ' A' ' 56' ' ' ILE . 2.3 tm? -46.18 -70.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' N ' HD12 ' A' ' 40' ' ' LEU . 36.2 mttt -42.12 -61.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CD1' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -47.29 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.97 -26.38 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.436 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -73.65 -69.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.88 -34.73 9.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.31 -37.26 84.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.74 4.59 52.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 66.21 21.93 11.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 15.7 m -101.87 157.36 33.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.19 24.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.416 1.745 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.33 41.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.81 -52.67 1.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.6 p -104.03 45.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -138.55 134.88 34.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.23 163.9 31.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.422 HD12 ' CD2' ' A' ' 40' ' ' LEU . 8.1 mt -114.59 126.88 72.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.5 pt -119.97 157.52 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' GLY . 5.9 t -112.92 170.04 8.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.417 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 12.9 m120 -39.54 136.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 0.4 OUTLIER 76.85 9.18 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' THR . . . 40.34 48.64 3.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -87.87 13.3 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.47 171.95 2.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.559 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 26.6 mt -131.77 140.78 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.447 ' H ' ' CE1' ' A' ' 77' ' ' HIS . 2.4 t30 -114.89 106.48 51.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.57 2.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.93 -10.97 56.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.44 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.0 OUTLIER -130.11 170.4 14.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 72' ' ' ASN . 43.9 p -56.68 149.53 17.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -47.0 -49.33 21.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.71 -23.71 45.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' THR . 2.4 m-20 -95.94 -17.34 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.44 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 71.7 t -89.77 -47.07 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.531 ' CE1' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.11 -12.93 62.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -91.28 -62.04 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.573 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -56.06 -56.62 18.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.573 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 83.9 m-70 -71.02 -46.21 62.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' PHE . . . 122.24 147.87 7.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 t -69.77 -44.24 70.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -77.06 102.66 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.84 175.55 9.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.62 137.66 54.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.439 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 6.1 tt -96.21 114.31 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.67 154.26 44.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.25 7.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -80.8 146.77 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.47 81.57 1.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -138.3 35.36 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.1 t -93.9 -73.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.39 -125.13 7.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.96 -63.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -123.84 171.11 9.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.478 HG11 ' HA2' ' A' ' 71' ' ' GLY . 5.2 m -145.55 120.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.4 p -96.28 149.62 21.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 36' ' ' PHE . 2.3 m-85 -125.45 149.2 48.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.33 96.4 4.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.19 136.68 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 24' ' ' PRO . 12.9 m -116.26 137.26 52.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.762 HD13 ' CD2' ' A' ' 47' ' ' PHE . 8.0 tp -72.54 109.74 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.8 p -90.18 37.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.8 p -113.84 -35.05 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.67 154.87 37.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.43 9.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 mtm105 -95.96 -23.88 16.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.341 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.18 69.25 2.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' A' ' 16' ' ' THR . 18.2 Cg_endo -75.03 148.28 34.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -125.07 161.54 26.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.21 129.2 8.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 t -91.61 116.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 29' ' ' SER . 25.9 tp -97.66 159.03 15.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.431 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 92.8 p -141.45 117.98 10.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG22 ' HE1' ' A' ' 13' ' ' PHE . 1.3 m -150.79 160.85 31.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.97 121.32 6.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' PRO . 7.7 pt-20 -37.22 -46.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' GLU . 8.9 t -38.06 -38.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.762 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.4 m -66.4 146.63 99.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.762 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.96 134.25 17.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 3.9 t80 -58.83 -14.87 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.455 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -65.02 -30.72 71.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.46 -36.4 68.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.6 t -51.56 -32.96 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.534 ' HA ' HD11 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -62.05 -66.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 11.2 mtpt -42.37 -48.41 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.74 -55.1 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.7 -22.74 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.6 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -77.65 -72.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.35 -33.8 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.51 -39.88 74.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.762 ' CD2' HD13 ' A' ' 17' ' ' LEU . 17.6 m-85 -96.11 8.97 42.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 60.95 41.35 14.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 44' ' ' ALA . 26.9 m -114.89 157.54 42.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.91 13.72 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.432 1.754 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.51 46.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.51 -49.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.7 p -104.45 39.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.95 149.98 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.25 152.2 16.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.534 HD11 ' HA ' ' A' ' 40' ' ' LEU . 6.7 mt -97.48 136.35 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.562 HG22 ' HA2' ' A' ' 63' ' ' GLY . 10.2 pt -131.42 168.97 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.3 p -85.73 -170.21 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -93.82 27.77 2.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.21 19.22 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.65 21.36 60.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.5 mt -103.9 137.83 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -69.52 -170.17 7.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.761 HG23 ' NE2' ' A' ' 77' ' ' HIS . 65.2 mt -138.36 144.92 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.451 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 50.1 m-80 -116.45 107.19 47.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.455 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.04 51.69 2.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.09 20.04 7.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER -162.69 171.27 17.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 72.5 p -56.67 145.15 29.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.5 -41.06 28.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.53 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -60.01 -23.35 59.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -94.94 -17.59 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 68.8 t -91.21 -46.27 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.53 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -71.31 -14.25 62.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.8 tp -91.31 -51.15 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -64.94 -41.96 95.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.761 ' NE2' HG23 ' A' ' 64' ' ' ILE . 94.4 m-70 -88.24 -49.11 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 127.11 178.33 15.27 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 p -94.28 -46.65 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -72.95 102.6 3.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.0 173.63 11.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 145.35 51.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.45 HG21 HD12 ' A' ' 17' ' ' LEU . 5.6 tt -95.44 118.0 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 85' ' ' PRO . 1.9 pp -116.78 156.87 47.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.594 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.2 Cg_endo -75.02 144.57 30.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.447 1.762 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -132.99 177.44 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.654 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 15.4 m -149.21 132.64 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -101.74 139.96 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.654 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 5.6 m-85 -119.61 119.97 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -98.41 96.05 7.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 mt -112.69 148.24 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 18' ' ' THR . 11.9 m -126.01 106.77 9.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -50.4 116.79 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 16' ' ' THR . 49.1 p -100.71 104.47 15.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.37 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 p -175.77 -73.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.6 156.16 89.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.11 4.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.77 -50.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 mp 64.0 65.25 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.44 42.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -125.9 155.45 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.556 ' HZ2' ' HB2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -145.3 139.01 26.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.4 104.26 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.575 HD11 ' CE1' ' A' ' 42' ' ' PHE . 23.7 tp -92.46 160.64 14.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.41 121.27 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.594 HG22 ' HE1' ' A' ' 13' ' ' PHE . 2.5 m -149.66 157.39 38.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.01 7.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' THR . 11.9 pt-20 -39.02 -45.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' GLU . 37.1 p -38.86 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.63 HG23 ' HD2' ' A' ' 35' ' ' PRO . 15.6 m -79.62 145.08 62.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.362 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.0 131.31 14.15 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.435 ' HA ' HG23 ' A' ' 39' ' ' VAL . 3.9 t80 -50.07 -23.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.66 -25.53 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.454 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.05 49.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 36' ' ' PHE . 66.4 t -56.59 -62.41 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -45.81 -46.06 15.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -61.09 -42.98 99.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.4 t80 -67.19 -53.01 34.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.442 ' HB2' ' HZ1' ' A' ' 26' ' ' LYS . . . -48.54 -37.31 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.509 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -60.45 -51.6 68.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -61.72 -16.52 49.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -37.58 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.964 ' O ' HG13 ' A' ' 49' ' ' VAL . 44.7 m-85 -94.87 25.7 3.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 42.33 48.16 4.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.964 HG13 ' O ' ' A' ' 47' ' ' PHE . 34.8 m -130.58 157.52 77.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.97 22.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.68 49.17 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.02 -49.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 p -93.86 36.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.1 p -129.45 157.83 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ILE . . . -161.87 152.31 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.572 HG22 HD12 ' A' ' 64' ' ' ILE . 74.1 mt -118.06 140.62 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 pt -136.59 179.31 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.5 p -98.43 -166.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -95.13 37.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.37 20.06 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.9 55.95 21.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.969 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.491 HG22 ' H ' ' A' ' 63' ' ' GLY . 1.5 mt -119.89 -140.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 62' ' ' ILE . . . -161.87 121.57 1.03 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.916 HG23 ' CD2' ' A' ' 77' ' ' HIS . 59.1 mt -66.17 146.91 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -116.18 106.84 48.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 51.81 2.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.49 -25.67 23.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.3 pm0 -119.99 167.85 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.5 p -51.15 148.55 4.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.49 -48.06 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -58.1 -22.9 50.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -95.4 -16.02 22.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG1' ' CG2' ' A' ' 64' ' ' ILE . 74.6 t -92.11 -46.28 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.5 ' O ' ' CA ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -71.02 -11.04 60.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.68 -45.14 8.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -74.51 -27.39 60.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.916 ' CD2' HG23 ' A' ' 64' ' ' ILE . 96.8 m-70 -102.27 -51.58 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.639 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.92 176.24 14.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.19 -33.64 15.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -83.87 105.01 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.91 166.24 25.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -119.09 135.75 54.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.3 tt -96.7 126.31 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' ALA . 2.0 pp -121.2 156.82 56.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.47 9.33 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -113.8 161.2 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.62 HG11 ' CE1' ' A' ' 74' ' ' PHE . 27.2 m -135.81 136.17 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 p -105.85 127.28 53.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.615 ' CE1' HG22 ' A' ' 30' ' ' VAL . 4.3 m-85 -100.25 121.72 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.77 95.33 7.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -120.73 154.97 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -129.61 133.17 47.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.747 ' O ' HD13 ' A' ' 23' ' ' LEU . 6.1 tp -68.86 139.67 55.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 19' ' ' SER . 7.7 p -127.77 115.88 19.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 18' ' ' THR . 2.1 p 165.14 -31.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.04 154.14 45.11 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 55.64 3.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.6 -45.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.747 HD13 ' O ' ' A' ' 17' ' ' LEU . 4.0 mm? 61.75 64.48 1.96 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.502 ' CG ' HD23 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.98 138.95 23.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -123.56 152.22 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.23 137.35 9.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 m -96.77 122.37 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.536 HD11 ' CG ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -98.58 125.72 43.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -100.31 117.06 33.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.615 HG22 ' CE1' ' A' ' 13' ' ' PHE . 2.3 m -142.23 160.86 53.31 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.06 21.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.475 ' HG2' HG13 ' A' ' 11' ' ' VAL . 45.0 mt-10 -48.43 -57.52 5.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' GLU . 22.9 t -36.65 -59.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.669 HG23 ' HD2' ' A' ' 35' ' ' PRO . 3.8 m -43.68 145.72 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.05 146.34 32.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.612 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 4.3 t80 -66.76 -20.4 65.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -58.12 -35.56 71.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.433 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.25 -41.53 89.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 97.2 t -48.04 -30.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.74 -64.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 4.3 mtpp -51.44 -52.87 42.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.536 ' CG ' HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -55.23 -60.28 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 39' ' ' VAL . . . -48.63 -45.11 37.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.51 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -49.62 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -43.68 -48.94 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -52.45 59.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -76.49 -3.95 40.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mttm 58.65 67.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.51 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 2.5 m -135.46 160.4 68.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 142.29 27.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.03 52.76 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.32 -52.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 11.4 p -102.08 52.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.5 p -140.9 137.26 33.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' ILE . . . -163.16 144.79 9.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.1 mt -107.23 133.9 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 2.9 pt -134.41 171.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 p -83.28 -169.33 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -96.32 34.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.567 ' HB3' HD11 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -147.66 27.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.61 78.98 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.567 HD11 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -144.77 -147.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.758 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.68 113.67 0.58 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.808 HG23 ' CD2' ' A' ' 77' ' ' HIS . 35.9 mt -59.52 142.96 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -107.61 106.51 58.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 51.7 2.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.17 -32.32 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.458 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.05 174.67 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASN . 31.8 p -60.54 151.26 29.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.24 -51.57 18.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.552 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.47 -22.22 37.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' THR . 80.1 m-20 -95.03 -15.83 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 68.9 t -93.58 -46.18 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.62 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.45 -15.3 62.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 3.3 tp -89.31 -48.85 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.536 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -65.7 -43.33 89.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.808 ' CD2' HG23 ' A' ' 64' ' ' ILE . 92.1 m-70 -86.7 -49.77 7.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.497 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 126.34 178.71 15.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.5 p -99.91 8.19 44.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.925 ' O ' HD23 ' A' ' 81' ' ' LEU . 7.5 mt-10 -119.45 106.69 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -147.24 170.74 16.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -125.23 142.52 51.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 83' ' ' ILE . 7.5 tt -96.31 110.63 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.9 pp -104.66 156.6 35.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.96 112.43 3.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.556 1.819 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -126.27 153.87 44.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.435 HG12 ' CZ ' ' A' ' 74' ' ' PHE . 9.7 m -118.96 125.77 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.5 p -98.77 126.51 44.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' CE2' ' A' ' 36' ' ' PHE . 5.2 m-85 -101.16 167.31 10.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.12 99.92 3.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -118.91 153.21 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 24' ' ' PRO . 1.2 m -138.73 140.92 38.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.698 HD13 ' CD1' ' A' ' 47' ' ' PHE . 2.5 tp -65.81 138.82 58.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.9 p -103.55 -35.06 8.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.9 t -57.22 -87.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -47.36 157.12 0.56 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -75.0 -165.72 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 69.6 -58.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 78.75 71.99 0.17 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.677 ' O ' HG23 ' A' ' 16' ' ' THR . 18.3 Cg_endo -75.02 165.71 30.7 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -131.66 156.43 45.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HZ2' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -155.05 130.66 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 t -98.33 121.92 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.584 HD21 ' CE1' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -93.25 162.78 13.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.401 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -141.46 109.52 5.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.465 HG22 ' HE1' ' A' ' 13' ' ' PHE . 1.3 m -142.96 161.96 45.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.97 122.38 7.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' PRO . 14.8 pt-20 -36.64 -46.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t -43.47 -48.79 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.72 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -56.66 146.26 57.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.72 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.92 158.76 42.31 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.584 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 2.1 t80 -79.31 -9.15 59.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 t -69.93 -35.93 74.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.18 -21.16 56.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.518 HG13 HD13 ' A' ' 28' ' ' LEU . 82.2 t -68.07 -43.77 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.493 HD12 HG13 ' A' ' 56' ' ' ILE . 1.6 tt -49.52 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -45.33 -58.97 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.584 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.3 t80 -48.51 -47.06 39.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -58.72 -70.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.18 -35.74 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.45 -46.68 88.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -62.86 -47.99 80.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.698 ' CD1' HD13 ' A' ' 17' ' ' LEU . 39.1 m-85 -65.43 -16.42 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 71.56 62.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.37 161.25 39.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.48 12.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.45 -13.23 57.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.64 81.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 p -118.28 37.99 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 p -121.34 155.91 33.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.656 ' HB2' ' HG3' ' A' ' 86' ' ' ARG . . . -162.5 151.27 14.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.493 HG13 HD12 ' A' ' 40' ' ' LEU . 79.1 mt -116.14 139.72 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.401 HD12 ' HA2' ' A' ' 61' ' ' GLY . 9.3 pt -142.11 170.05 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.955 HG22 HD22 ' A' ' 81' ' ' LEU . 71.8 p -103.26 -166.32 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 1.7 m-20 -72.42 153.94 41.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 7.1 t0 84.82 -48.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' HA2' HD12 ' A' ' 57' ' ' ILE . . . 128.96 55.98 0.11 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.8 mm -119.61 122.39 68.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.42 -163.85 2.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.761 HG23 ' ND1' ' A' ' 77' ' ' HIS . 7.4 mt -135.9 145.37 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.71 103.57 55.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.63 2.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.97 -21.95 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -121.71 171.7 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.413 ' O ' HG23 ' A' ' 73' ' ' VAL . 67.8 p -59.42 151.98 22.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.32 -48.14 25.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.46 -23.91 50.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' THR . 43.5 m-20 -95.27 -14.16 24.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.438 ' CG1' ' CG2' ' A' ' 64' ' ' ILE . 75.7 t -93.7 -45.55 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.491 ' O ' ' CA ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -72.63 -14.06 61.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.9 tp -90.14 -40.84 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.55 ' HE2' ' CE1' ' A' ' 77' ' ' HIS . 0.5 OUTLIER -74.51 -41.64 60.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.761 ' ND1' HG23 ' A' ' 64' ' ' ILE . 73.4 m80 -90.32 -50.49 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 129.83 -169.83 20.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 p -102.31 -34.11 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -83.62 104.83 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.955 HD22 HG22 ' A' ' 58' ' ' THR . 0.8 OUTLIER -136.82 165.97 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -121.23 139.83 52.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 83' ' ' ILE . 3.1 tt -96.95 112.1 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.2 pp -111.06 156.5 40.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.79 8.14 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.506 1.792 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.656 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -109.98 166.8 10.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.697 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 6.1 m -135.53 124.0 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.2 p -91.02 135.03 34.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.697 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 4.2 m-85 -114.25 125.34 53.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.9 95.43 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mt -110.45 159.2 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.661 HG21 HD23 ' A' ' 23' ' ' LEU . 2.6 m -134.7 137.07 43.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 tp -81.77 122.58 27.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.5 p -104.86 68.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.2 p -139.5 -70.12 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.98 153.55 86.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.56 5.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.53 -47.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.661 HD23 HG21 ' A' ' 16' ' ' THR . 0.7 OUTLIER 66.93 64.43 0.76 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -74.94 127.79 11.01 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 5.1 p90 -80.64 153.11 28.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -131.66 143.87 50.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 t -133.45 98.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.667 HD11 ' CE1' ' A' ' 42' ' ' PHE . 26.2 tp -97.54 149.27 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.58 111.67 15.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.649 HG22 ' CE1' ' A' ' 13' ' ' PHE . 1.8 m -137.83 160.96 62.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.99 126.34 9.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' PRO . 12.1 pt-20 -35.36 -47.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.415 ' O ' ' HB ' ' A' ' 69' ' ' THR . 0.9 OUTLIER -44.79 -56.88 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -44.76 141.84 2.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 34' ' ' THR . 18.2 Cg_endo -74.97 148.71 35.78 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CE2' ' CD2' ' A' ' 13' ' ' PHE . 2.5 t80 -71.84 -8.51 54.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 t -69.98 -35.27 74.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.64 -33.39 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.39 -47.4 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -48.59 -59.53 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -62.43 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.667 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.4 t80 -43.0 -52.13 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 -61.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' PHE . . . -42.07 -66.46 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.31 -34.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CB ' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -71.96 -43.59 64.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 26' ' ' LYS . 8.9 m-85 -83.41 9.61 10.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' O ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER 54.18 73.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -155.2 163.95 22.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.6 10.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.43 49.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.66 -49.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.3 p -95.89 48.09 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -135.29 164.9 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' A' ' 86' ' ' ARG . . . -162.54 153.36 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.871 HG22 HD12 ' A' ' 64' ' ' ILE . 54.2 mt -115.55 143.85 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.414 HG22 ' HA2' ' A' ' 63' ' ' GLY . 3.0 pt -147.55 173.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.8 p -104.76 166.03 10.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 71.6 m-80 -65.41 87.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER 159.3 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.68 -35.14 3.39 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.5 mm -46.47 132.27 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -84.23 -166.56 41.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.878 HG23 ' CD2' ' A' ' 77' ' ' HIS . 39.4 mt -133.76 145.85 32.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -119.84 114.07 34.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 51.7 2.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.86 -27.74 30.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.449 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -117.42 177.29 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 33' ' ' SER . 32.4 p -63.94 158.81 21.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -51.07 -53.6 32.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.57 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.8 -20.53 33.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -94.91 -17.25 22.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 42.3 t -93.92 -45.86 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.611 ' CZ ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.34 -13.05 62.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.072 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.28 -46.13 8.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -68.19 -42.08 80.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.878 ' CD2' HG23 ' A' ' 64' ' ' ILE . 92.1 m-70 -89.72 -48.61 7.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.52 -178.25 16.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 p -101.45 3.89 40.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.918 ' O ' HD23 ' A' ' 81' ' ' LEU . 49.9 mt-10 -118.86 108.65 15.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.918 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -146.74 -177.05 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 146.26 49.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.52 ' O ' HG23 ' A' ' 83' ' ' ILE . 6.3 tt -103.94 109.07 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 85' ' ' PRO . 0.9 OUTLIER -109.22 154.77 41.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.576 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.6 Cg_endo -74.93 134.87 18.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.414 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 4.2 ttm-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -132.5 172.29 12.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.694 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 17.7 m -146.92 127.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.19 124.3 47.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.04 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.694 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.52 130.91 51.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -95.84 95.37 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -109.78 151.16 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.687 ' CG2' HD12 ' A' ' 23' ' ' LEU . 1.3 m -131.71 114.44 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.726 HD11 ' OG ' ' A' ' 19' ' ' SER . 10.5 tp -61.02 131.07 49.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 16' ' ' THR . 59.2 p -128.89 60.89 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.726 ' OG ' HD11 ' A' ' 17' ' ' LEU . 59.8 p -147.97 56.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 19' ' ' SER . 0.4 OUTLIER 163.4 172.15 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.1 Cg_endo -75.0 56.5 4.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.502 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -172.83 158.24 3.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.687 HD12 ' CG2' ' A' ' 16' ' ' THR . 2.7 mm? -133.15 66.5 75.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.29 30.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -123.47 153.18 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.482 ' CE ' ' HA ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -160.47 133.86 6.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.9 m -100.18 121.78 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.484 HD11 ' CE2' ' A' ' 42' ' ' PHE . 6.7 tp -103.26 124.62 48.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.71 121.92 44.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.619 HG22 ' HE1' ' A' ' 13' ' ' PHE . 15.5 m -141.4 158.25 64.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.9 8.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.47 ' O ' ' HB ' ' A' ' 69' ' ' THR . 17.1 pt-20 -39.07 -44.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' GLU . 6.2 t -38.47 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.737 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.4 m -86.65 146.58 41.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.478 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.737 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.5 Cg_endo -74.95 142.59 28.19 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.442 ' CE2' ' CD2' ' A' ' 13' ' ' PHE . 6.9 t80 -59.74 -13.92 12.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.447 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.2 t -68.15 -29.27 68.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.52 -27.12 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.467 HG13 HD23 ' A' ' 28' ' ' LEU . 69.9 t -62.01 -45.1 99.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.517 ' HB2' HD12 ' A' ' 56' ' ' ILE . 0.7 OUTLIER -52.82 -66.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -59.59 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.484 ' CE2' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -49.32 -59.51 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.482 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -45.22 -63.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.603 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . . . -43.66 -61.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -51.31 -41.34 60.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' CB ' ' HE2' ' A' ' 26' ' ' LYS . 5.8 mm-40 -65.75 -20.46 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.478 ' O ' HG13 ' A' ' 49' ' ' VAL . 6.3 m-85 -102.25 3.62 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.24 44.08 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 47' ' ' PHE . 16.2 m -134.37 156.96 78.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 123.51 7.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -82.38 -14.87 54.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.58 -39.77 77.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.5 p -112.04 40.57 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.2 p -119.49 155.38 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.17 149.57 23.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.517 HD12 ' HB2' ' A' ' 40' ' ' LEU . 25.9 mt -120.07 143.82 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 pt -144.52 163.06 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 p -90.25 156.76 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -61.72 88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 166.06 -30.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.83 31.5 3.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 62' ' ' ILE . 21.1 mm -112.01 130.99 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.39 -167.11 4.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.906 HG23 ' CD2' ' A' ' 77' ' ' HIS . 12.6 mt -138.11 146.65 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.43 103.57 54.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 51.74 2.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.13 -6.71 27.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -131.81 170.72 14.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 19.3 p -58.94 147.07 35.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.06 -45.65 32.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.646 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -60.17 -22.57 58.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.5 m-20 -95.1 -14.63 24.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 42.1 t -93.88 -46.72 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.495 ' O ' ' CA ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -70.11 -10.84 60.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.63 -48.19 6.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.0 ptpt -72.29 -29.27 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.906 ' CD2' HG23 ' A' ' 64' ' ' ILE . 96.3 m-70 -99.43 -50.61 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.01 -174.55 17.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 p -102.07 -36.78 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.663 ' O ' HD23 ' A' ' 81' ' ' LEU . 6.9 mt-10 -76.39 101.97 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.7 OUTLIER -142.08 160.7 39.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -117.17 138.75 51.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 83' ' ' ILE . 8.1 tt -95.95 104.99 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -105.63 154.11 39.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 131.86 14.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -126.85 166.83 16.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 14.9 m -132.09 150.37 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.7 p -116.29 126.38 53.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CE2' HG22 ' A' ' 30' ' ' VAL . 16.4 m-85 -102.12 121.67 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.62 95.39 6.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' LYS . 3.9 mt -121.39 145.07 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.1 m -123.8 131.71 53.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.553 ' O ' HD13 ' A' ' 23' ' ' LEU . 5.9 tp -64.76 127.94 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.401 HG22 HD11 ' A' ' 23' ' ' LEU . 17.9 p -110.79 92.96 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.4 p -170.64 -64.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.07 153.47 74.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 69.65 5.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.05 -44.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 17' ' ' LEU . 2.5 mm? 59.28 64.32 3.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.0 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -71.61 154.04 41.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HZ1' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -130.65 147.92 52.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 t -137.69 95.96 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.811 HD21 ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -93.97 137.13 33.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -112.69 115.41 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.588 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.5 m -145.29 161.12 43.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.77 38.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.469 ' HG2' ' CG1' ' A' ' 11' ' ' VAL . 44.6 mt-10 -55.16 -57.87 9.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -37.98 -59.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.052 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -39.29 144.52 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.05 157.57 42.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.451 1.763 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.433 ' HE1' HD13 ' A' ' 56' ' ' ILE . 4.6 t80 -83.56 -39.06 20.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 t -43.17 -34.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.64 -48.02 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.9 t -40.9 -38.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.65 HD13 ' C ' ' A' ' 40' ' ' LEU . 1.6 tm? -55.4 -62.16 1.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -57.67 9.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.811 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -49.46 -46.71 48.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.09 -58.21 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.42 ' HA ' HG23 ' A' ' 49' ' ' VAL . . . -47.98 -54.99 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.97 -23.44 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' CG ' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -78.95 -39.95 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 26' ' ' LYS . 20.0 m-85 -89.87 16.13 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.56 61.63 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.42 HG23 ' HA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -140.85 163.8 40.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.28 20.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.809 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.21 53.15 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.05 -54.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 20.4 p -90.42 40.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.457 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -140.97 151.06 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HB2' ' HG3' ' A' ' 86' ' ' ARG . . . -161.8 165.98 27.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 64' ' ' ILE . 29.5 mt -116.74 140.0 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.4 pt -137.05 163.52 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 62' ' ' ILE . 71.8 p -81.28 164.05 22.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -59.21 -42.33 90.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -19.94 38.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.59 53.2 2.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 58' ' ' THR . 64.3 mt -138.57 138.88 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.46 169.98 3.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.789 HG23 ' CD2' ' A' ' 77' ' ' HIS . 55.5 mt -119.65 142.87 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.34 103.8 53.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 51.46 2.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.6 -22.36 32.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -115.96 178.46 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' ASN . 71.9 p -65.34 150.99 47.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.98 -50.76 18.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.453 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.18 -22.6 44.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.5 m-80 -95.77 -15.26 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 54.2 t -93.27 -47.17 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CE2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -67.85 -13.02 61.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.43 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -90.72 -59.58 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.552 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -58.17 -57.21 13.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.789 ' CD2' HG23 ' A' ' 64' ' ' ILE . 88.8 m-70 -71.81 -47.79 50.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.488 ' O ' HD11 ' A' ' 81' ' ' LEU . . . 122.83 156.56 9.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.3 p -77.86 -47.02 19.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 0.805 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -72.96 106.19 4.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.488 HD11 ' O ' ' A' ' 78' ' ' GLY . 0.5 OUTLIER -139.18 176.97 8.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -123.82 144.75 49.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 83' ' ' ILE . 13.7 tt -96.75 111.83 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -109.65 156.66 39.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -74.97 131.35 14.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.561 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -132.49 159.14 40.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.583 HG11 ' HA2' ' A' ' 71' ' ' GLY . 34.7 m -120.07 147.95 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.445 ' HB2' HG23 ' A' ' 27' ' ' VAL . 3.9 p -120.07 134.0 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.508 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 7.9 m-85 -111.59 110.76 21.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -95.19 99.25 11.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -112.15 155.18 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 24' ' ' PRO . 34.4 m -136.22 118.46 15.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.459 HD12 ' H ' ' A' ' 18' ' ' THR . 6.6 tp -54.29 148.24 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.459 ' H ' HD12 ' A' ' 17' ' ' LEU . 79.0 p -123.38 89.99 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 p -169.08 -58.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.046 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.12 168.28 22.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -36.07 2.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.781 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -95.55 63.93 2.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 16' ' ' THR . 1.8 mp -39.2 99.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.739 ' O ' HG23 ' A' ' 16' ' ' THR . 18.3 Cg_endo -75.02 158.47 42.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -116.46 154.6 30.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.603 ' NZ ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -148.7 129.97 14.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 12' ' ' SER . 0.2 OUTLIER -117.79 116.44 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD12 ' NZ ' ' A' ' 26' ' ' LYS . 1.7 mt -91.5 173.15 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.5 p -145.08 113.3 6.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.44 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -145.06 163.36 33.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 132.48 15.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -45.09 -25.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -68.42 -46.79 68.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.684 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -52.33 144.88 21.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.684 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.98 158.85 42.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CE2' ' CD1' ' A' ' 13' ' ' PHE . 2.5 t80 -83.71 -11.2 57.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -30.37 66.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.23 -27.41 53.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' LEU . 97.8 t -61.06 -55.19 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.437 HD13 HG13 ' A' ' 56' ' ' ILE . 4.5 tp -40.41 -61.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 16.2 mttt -45.16 -54.3 7.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -58.67 -58.71 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.964 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' PHE . . . -39.67 -48.4 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.626 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -47.95 -53.29 16.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.89 -39.88 69.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.39 -32.37 70.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.824 ' O ' HG13 ' A' ' 49' ' ' VAL . 20.6 m-85 -104.06 19.76 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.27 59.0 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.824 HG13 ' O ' ' A' ' 47' ' ' PHE . 34.0 m -134.6 157.39 77.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.97 21.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.45 60.81 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.57 -49.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.2 p -98.82 36.54 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -140.33 158.44 44.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.57 155.53 19.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.437 HG13 HD13 ' A' ' 40' ' ' LEU . 65.5 mt -114.18 138.95 42.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.47 HD12 ' CA ' ' A' ' 61' ' ' GLY . 31.9 pt -131.86 162.21 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.911 HG23 HG22 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -107.24 173.77 6.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.455 ' N ' ' OG1' ' A' ' 58' ' ' THR . 31.9 m-20 -40.19 138.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.23 13.95 9.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.47 ' CA ' HD12 ' A' ' 57' ' ' ILE . . . 37.91 62.12 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.911 HG22 HG23 ' A' ' 58' ' ' THR . 4.8 tt -90.91 8.46 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 62' ' ' ILE . . . 58.01 116.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.506 HG23 ' CD2' ' A' ' 77' ' ' HIS . 84.4 mt -73.25 163.35 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.461 ' N ' HG22 ' A' ' 64' ' ' ILE . 3.1 m-80 -140.76 120.44 8.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.46 2.78 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.454 1.766 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.77 -30.14 36.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.424 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.6 pm0 -125.85 170.38 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' ASN . 44.8 p -55.39 152.01 9.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.43 -52.94 12.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.583 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -55.67 -22.06 31.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 69' ' ' THR . 75.9 m-20 -95.66 -17.88 20.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 77' ' ' HIS . 75.0 t -90.98 -46.48 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.493 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -69.28 -11.04 60.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.51 -48.63 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.53 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -72.55 -29.51 63.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.53 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 95.3 m-70 -97.62 -50.24 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.637 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.57 171.2 13.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.49 -29.12 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.055 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.534 ' O ' HD23 ' A' ' 81' ' ' LEU . 25.2 mt-10 -89.54 109.0 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 80' ' ' GLU . 1.1 mt -142.58 163.56 32.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.19 144.81 43.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.5 tt -101.24 121.66 52.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 85' ' ' PRO . 1.6 pp -113.75 154.8 45.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.415 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.2 Cg_endo -75.05 140.27 25.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -135.49 175.53 9.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.57 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 29.5 m -150.26 143.66 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.5 p -113.06 121.54 44.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.963 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.644 ' HE2' HG22 ' A' ' 30' ' ' VAL . 11.3 m-85 -98.62 117.19 32.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.13 98.03 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.401 HG21 ' HB ' ' A' ' 83' ' ' ILE . 7.8 mt -113.92 153.14 15.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.521 HG22 HD23 ' A' ' 23' ' ' LEU . 42.1 m -132.55 103.04 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.406 HD11 ' OG ' ' A' ' 19' ' ' SER . 7.8 tp -60.13 103.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -97.01 47.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.443 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.406 ' OG ' HD11 ' A' ' 17' ' ' LEU . 66.3 p -109.16 6.92 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.92 160.57 30.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.24 3.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.25 -49.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.521 HD23 HG22 ' A' ' 16' ' ' THR . 1.9 mp 65.41 64.08 1.01 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -74.98 108.4 2.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -91.57 149.67 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.643 ' HZ2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -160.72 133.24 6.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -89.67 129.01 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.681 HD11 ' CE1' ' A' ' 42' ' ' PHE . 57.2 tp -106.74 125.25 50.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.418 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 16.3 p -102.1 124.84 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.644 HG22 ' HE2' ' A' ' 13' ' ' PHE . 2.6 m -151.17 158.9 34.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -75.0 118.0 5.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' THR . 8.0 pt-20 -38.2 -46.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -38.27 -31.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.024 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.7 m -76.64 146.68 77.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -75.02 124.72 8.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -43.85 -25.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.444 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.1 t -56.42 -30.89 63.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.12 -41.57 70.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.661 HG13 HD23 ' A' ' 28' ' ' LEU . 98.3 t -45.68 -49.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.867 HD11 ' OG ' ' A' ' 54' ' ' SER . 6.8 tp -48.55 -58.45 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -55.49 -58.08 9.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.681 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -47.58 -63.29 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.42 -58.27 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.459 ' CA ' HG23 ' A' ' 49' ' ' VAL . . . -42.05 -65.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -46.33 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -38.23 75.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -86.6 13.93 7.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.65 55.41 9.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.459 HG23 ' CA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -130.06 164.04 43.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.79 5.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.84 55.9 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.25 -47.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 46.5 p -103.11 46.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.867 ' OG ' HD11 ' A' ' 40' ' ' LEU . 10.6 p -130.1 155.9 45.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.13 153.83 18.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.7 mt -116.59 135.16 57.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 pt -127.22 171.72 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.5 p -95.17 -166.26 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -92.53 28.77 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -157.57 26.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 37.33 48.62 1.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 6.0 mt -105.38 1.94 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.51 -177.76 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 65' ' ' ASN . 2.9 mm -123.0 168.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.528 ' N ' HG22 ' A' ' 64' ' ' ILE . 34.9 m-20 -135.93 99.1 11.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.444 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 51.62 2.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.4 -17.63 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.1 pm0 -127.07 165.58 19.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 74.7 p -50.92 149.15 3.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.448 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.36 -50.11 52.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.567 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -55.86 -20.98 28.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -94.76 -16.56 22.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 71.4 t -93.75 -45.92 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -70.42 -12.54 61.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 3.8 tp -91.89 -46.18 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.483 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -72.53 -27.04 61.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.5 ' ND1' HD13 ' A' ' 64' ' ' ILE . 97.2 m-70 -102.58 -50.62 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 130.82 -168.61 21.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 p -109.31 -31.06 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -83.59 105.54 14.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.61 164.64 29.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -115.34 136.84 52.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 83' ' ' ILE . 10.1 tt -98.71 112.4 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pp -121.75 156.72 58.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.98 122.62 7.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.779 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -132.75 168.76 17.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.586 HG11 ' CE1' ' A' ' 74' ' ' PHE . 15.9 m -140.14 133.15 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.516 ' HB3' HG23 ' A' ' 27' ' ' VAL . 27.6 m -99.8 141.41 32.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.693 ' CE2' HG22 ' A' ' 30' ' ' VAL . 7.5 m-85 -116.67 110.57 18.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -87.63 95.3 10.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 mt -113.71 136.65 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 24' ' ' PRO . 1.2 m -112.56 112.72 24.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.705 HD22 ' CD1' ' A' ' 47' ' ' PHE . 11.7 tp -54.95 128.4 33.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -99.85 -25.7 14.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.361 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -52.72 -45.29 66.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.26 155.03 60.33 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' HD12 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.02 -45.76 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -47.09 -30.77 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 57.37 64.63 4.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.04 164.36 33.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -113.95 151.82 31.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -137.06 145.24 43.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.516 HG23 ' HB3' ' A' ' 12' ' ' SER . 0.2 OUTLIER -139.48 95.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 42' ' ' PHE . 6.0 tp -93.62 140.01 30.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.12 117.73 34.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.693 HG22 ' CE2' ' A' ' 13' ' ' PHE . 2.5 m -136.76 160.12 67.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.74 18.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 33' ' ' SER . 29.2 mt-10 -40.85 -58.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.2 m -37.26 -64.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.625 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -38.09 143.27 0.42 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.625 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.93 146.62 33.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CE2' ' CE1' ' A' ' 13' ' ' PHE . 4.3 t80 -66.13 -25.38 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 2.3 t -53.65 -35.31 60.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.9 87.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.481 HG21 ' CZ ' ' A' ' 13' ' ' PHE . 86.1 t -50.6 -52.29 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.563 HD11 ' OG ' ' A' ' 54' ' ' SER . 5.7 tp -47.02 -62.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -48.72 -63.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.462 ' CD1' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -44.04 -63.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.4 -57.73 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HB1' HG23 ' A' ' 49' ' ' VAL . . . -44.97 -58.44 3.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -34.72 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.35 -31.02 71.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.705 ' CD1' HD22 ' A' ' 17' ' ' LEU . 8.3 m-85 -94.31 -6.24 44.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.08 60.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.528 HG23 ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -136.32 162.22 57.7 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.42 10.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.2 72.0 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.24 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 48.4 p -99.9 38.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.563 ' OG ' HD11 ' A' ' 40' ' ' LEU . 8.5 p -137.14 156.01 48.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.15 145.85 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 53.3 mt -103.83 143.11 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.949 HG22 ' HA2' ' A' ' 63' ' ' GLY . 5.1 pt -137.12 158.57 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.466 HG22 ' HB3' ' A' ' 77' ' ' HIS . 42.8 p -70.0 173.34 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.438 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -65.32 -13.85 59.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.51 -5.94 23.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.465 ' HA2' HD12 ' A' ' 57' ' ' ILE . . . 64.94 63.21 4.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.469 1.106 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.532 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 1.2 mm -117.98 1.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.949 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . 72.99 161.87 6.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.618 HG23 ' CD2' ' A' ' 77' ' ' HIS . 5.4 mm -109.69 164.79 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -133.26 99.63 14.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.97 51.2 2.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.43 -17.47 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.427 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -123.28 -175.43 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 33' ' ' SER . 30.1 p -71.22 147.27 48.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.36 -51.24 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.463 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.13 -23.96 19.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' THR . 13.2 m-20 -95.53 -20.11 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.446 HG13 ' CG2' ' A' ' 64' ' ' ILE . 75.2 t -86.4 -45.74 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -73.3 -14.35 61.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.5 tp -91.72 -47.47 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.7 ptmt -69.43 -39.34 77.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.618 ' CD2' HG23 ' A' ' 64' ' ' ILE . 89.7 m-70 -92.39 -51.57 5.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.638 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 130.21 174.84 13.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -93.4 -40.81 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.989 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.88 102.81 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.31 176.65 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.47 144.36 51.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.569 ' CG2' HD12 ' A' ' 17' ' ' LEU . 7.4 tt -100.4 124.35 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.7 156.74 79.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -74.98 126.57 10.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -123.15 173.11 8.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.728 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 17.2 m -138.95 136.24 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 p -109.16 124.71 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.728 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -105.04 135.04 47.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -109.31 98.54 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.413 HG21 ' HB ' ' A' ' 83' ' ' ILE . 8.7 mt -119.96 158.28 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.5 m -135.88 124.12 23.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.529 HD11 ' OG ' ' A' ' 19' ' ' SER . 8.6 tp -62.7 128.7 37.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -106.04 90.5 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.529 ' OG ' HD11 ' A' ' 17' ' ' LEU . 5.7 p -179.15 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.92 149.23 98.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 65.04 6.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 172.05 -33.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp 64.16 77.76 0.3 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.08 42.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -124.97 154.19 41.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' NZ ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -148.86 134.65 18.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 t -91.93 115.65 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.654 HD21 ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -92.43 164.09 13.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.458 ' H ' HD23 ' A' ' 28' ' ' LEU . 24.2 p -145.62 115.31 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.536 HG22 ' CE1' ' A' ' 13' ' ' PHE . 1.5 m -144.26 161.34 45.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -75.01 123.76 8.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' PRO . 7.2 pt-20 -35.76 -46.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 69' ' ' THR . 1.4 t -42.28 -55.16 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.442 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 1.1 m -47.67 138.84 9.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.96 147.32 33.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.81 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.468 ' HE1' HD13 ' A' ' 56' ' ' ILE . 2.3 t80 -61.93 -16.38 50.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 t -65.12 -33.34 75.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.92 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.9 t -60.28 -42.57 91.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 40' ' ' LEU . 3.3 tm? -51.19 -53.11 38.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 2.8 tttt -61.37 -60.43 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.654 ' CE1' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -47.36 -63.01 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.79 -52.36 3.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -46.29 -67.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.57 -33.4 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -41.91 97.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -94.18 1.44 56.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mttp 65.46 40.33 4.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 25.9 m -119.67 157.18 52.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.5 25.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.72 39.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.53 -48.42 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 75.4 p -98.32 34.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.0 m -131.39 156.32 45.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 86' ' ' ARG . . . -162.73 157.01 21.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.468 HD13 ' HE1' ' A' ' 36' ' ' PHE . 17.2 mt -107.32 151.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.436 HG23 ' C ' ' A' ' 56' ' ' ILE . 6.1 pt -152.23 179.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.888 ' CG2' HD11 ' A' ' 64' ' ' ILE . 48.4 p -106.25 -172.03 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -89.78 15.78 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -127.19 21.37 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.5 51.36 43.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.5 mm -134.95 125.19 45.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.26 -171.23 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.888 HD11 ' CG2' ' A' ' 58' ' ' THR . 19.8 mm -134.39 145.18 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.58 100.98 44.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 51.15 2.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.7 -13.22 43.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.429 ' HG2' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -124.35 179.9 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 33' ' ' SER . 43.4 p -68.21 150.43 48.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.368 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -48.79 -48.02 41.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.559 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -59.1 -20.27 49.02 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.76 -17.68 21.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.429 HG23 ' HG2' ' A' ' 68' ' ' GLN . 30.5 t -93.81 -45.67 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.639 ' CZ ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.72 -14.14 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.516 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 4.0 tp -91.25 -58.67 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -56.65 -58.2 9.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.594 ' CG ' HD12 ' A' ' 64' ' ' ILE . 91.8 m-70 -74.67 -47.45 31.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.522 ' O ' HD11 ' A' ' 81' ' ' LEU . . . 124.5 157.89 9.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -44.78 36.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.577 ' O ' HD23 ' A' ' 81' ' ' LEU . 20.6 mt-10 -67.64 104.42 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.24 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.7 OUTLIER -144.48 166.22 25.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -116.39 146.69 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 83' ' ' ILE . 14.7 tt -100.78 113.02 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 55' ' ' ALA . 1.7 pp -109.13 156.69 38.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.99 132.88 15.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -131.5 165.12 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.621 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 27.5 m -138.47 131.06 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 p -96.49 129.48 43.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CE2' HG22 ' A' ' 30' ' ' VAL . 8.8 m-85 -103.17 111.02 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.79 95.47 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 mt -126.74 156.83 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.581 HG22 ' HG ' ' A' ' 23' ' ' LEU . 32.5 m -130.13 132.67 46.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -51.26 98.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 m -82.76 76.13 9.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.2 p -171.0 -54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.32 165.57 43.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -46.59 -42.47 16.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HG ' HG22 ' A' ' 16' ' ' THR . 0.8 OUTLIER 58.41 64.56 3.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 16' ' ' THR . 18.4 Cg_endo -75.01 154.88 42.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -119.03 152.61 36.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 129.19 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 m -94.9 125.41 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.778 HD23 HG13 ' A' ' 39' ' ' VAL . 55.8 tp -102.28 128.96 48.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -101.95 119.71 39.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.604 HG22 ' CE2' ' A' ' 13' ' ' PHE . 2.0 m -141.03 160.26 58.77 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.57 14.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HG2' HG13 ' A' ' 11' ' ' VAL . 32.5 mt-10 -42.07 -55.96 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLU . 13.4 p -37.65 -56.23 1.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.626 HG23 ' HD2' ' A' ' 35' ' ' PRO . 17.7 m -50.32 144.69 11.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.97 161.56 38.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.455 ' CE2' ' CD1' ' A' ' 13' ' ' PHE . 3.7 t80 -79.27 -14.31 59.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 t -66.56 -30.6 70.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.44 -29.45 62.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.778 HG13 HD23 ' A' ' 28' ' ' LEU . 81.6 t -60.5 -42.07 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER -52.07 -64.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -44.94 -61.36 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -47.46 -60.64 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.42 -56.84 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -44.61 -69.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.81 -46.74 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -44.95 61.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.72 ' O ' HG13 ' A' ' 49' ' ' VAL . 31.7 m-85 -87.86 17.49 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptt 48.1 55.84 8.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 47' ' ' PHE . 16.3 m -132.37 157.39 78.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.25 15.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.555 1.818 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.79 50.38 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.17 -50.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.0 p -96.89 46.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 m -138.67 158.02 45.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 110.058 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.473 ' HA ' HD11 ' A' ' 40' ' ' LEU . . . -163.15 159.89 23.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.713 HG22 HD12 ' A' ' 64' ' ' ILE . 89.8 mt -121.34 136.25 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.1 pt -133.24 173.95 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.5 p -94.61 -169.37 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.8 -20.18 59.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.14 14.67 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 45.83 57.61 5.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.57 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -98.14 5.0 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 0.742 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 62' ' ' ILE . . . 58.63 118.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.17 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.713 HD12 HG22 ' A' ' 56' ' ' ILE . 27.7 mt -74.1 143.9 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.774 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.69 107.2 44.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.29 2.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.29 -24.14 26.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -117.84 -176.03 2.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' ASN . 47.7 p -71.86 149.04 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.2 -50.65 15.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.7 -24.79 26.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' THR . 2.1 m-20 -96.21 -19.73 19.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.783 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 69' ' ' THR . 73.4 t -85.52 -46.57 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.621 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.43 -13.77 61.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.5 tp -91.29 -48.8 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.481 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -66.34 -44.42 83.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.672 ' CD2' HG23 ' A' ' 64' ' ' ILE . 95.0 m-70 -87.02 -50.41 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.59 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 129.3 -176.26 18.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.6 p -97.86 -28.66 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.672 ' O ' HD23 ' A' ' 81' ' ' LEU . 15.9 mt-10 -89.52 107.96 19.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 80' ' ' GLU . 1.3 mt -142.94 179.21 7.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -128.19 148.6 50.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 83' ' ' ILE . 8.6 tt -113.04 106.63 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 85' ' ' PRO . 1.7 pp -106.96 155.27 39.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.526 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.0 140.27 25.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -125.93 173.26 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.6 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 33.5 m -135.22 153.57 34.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.5 p -118.91 128.88 54.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.789 ' CE2' HG22 ' A' ' 30' ' ' VAL . 8.3 m-85 -106.81 125.52 51.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.72 95.46 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -111.91 143.7 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.439 ' CG2' HD12 ' A' ' 23' ' ' LEU . 1.2 m -121.92 108.86 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.487 HD13 ' CD2' ' A' ' 47' ' ' PHE . 9.9 tp -50.83 122.82 7.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -124.6 58.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -137.75 -57.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -69.67 173.89 3.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.0 55.76 4.05 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.796 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -173.91 168.16 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.356 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.796 HD22 ' O ' ' A' ' 22' ' ' ARG . 4.1 mm? -130.49 69.33 82.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.01 6.5 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -131.16 154.42 48.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.77 149.27 51.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.5 t -137.65 95.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.738 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -93.24 137.88 32.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.32 108.29 14.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.789 HG22 ' CE2' ' A' ' 13' ' ' PHE . 10.7 m -136.99 158.21 73.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -74.99 139.05 23.84 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' SER . 27.4 mt-10 -38.8 -57.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 69' ' ' THR . 0.2 OUTLIER -37.21 -64.15 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.616 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.7 m -38.65 142.92 0.48 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.0 157.1 42.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.42 -11.35 59.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.7 t -68.87 -36.17 77.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.41 -31.28 71.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.3 t -58.62 -54.16 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.838 HD21 ' HB2' ' A' ' 54' ' ' SER . 1.9 tt -46.61 -62.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 10.1 mtmt -49.64 -62.73 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.738 ' CD1' HD21 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -43.79 -52.59 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.54 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . . . -61.81 -36.37 80.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.506 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -63.6 -66.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -46.48 -35.07 5.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.96 -37.79 75.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.523 ' O ' HG13 ' A' ' 49' ' ' VAL . 2.2 m-85 -90.71 22.34 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER 40.51 56.03 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 47' ' ' PHE . 2.5 m -131.15 160.35 67.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.46 ' HB1' ' HG2' ' A' ' 41' ' ' LYS . . . -86.35 54.92 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.5 -54.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.58 55.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.838 ' HB2' HD21 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -139.77 154.88 47.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.525 ' HA ' HD11 ' A' ' 40' ' ' LEU . . . -162.71 139.46 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.62 HD12 HD12 ' A' ' 40' ' ' LEU . 15.9 mt -95.03 136.52 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.583 HG22 ' HA2' ' A' ' 63' ' ' GLY . 3.8 pt -131.04 162.39 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 p -92.62 157.32 16.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.7 m-20 -65.86 84.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 22.9 t0 175.72 -34.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.51 51.13 0.59 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.5 mm -140.5 140.84 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.225 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.583 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -78.14 -178.03 48.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.862 HG23 ' CE1' ' A' ' 77' ' ' HIS . 13.0 mt -127.06 141.99 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -110.66 101.67 49.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 51.5 2.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.5 -16.7 28.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -117.87 -169.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 33' ' ' SER . 21.0 p -77.12 145.96 37.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.34 -47.41 25.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.56 -24.27 46.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' CB ' ' HG3' ' A' ' 68' ' ' GLN . 69.9 m-20 -94.96 -14.95 23.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 53.2 t -92.35 -47.32 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.48 -13.38 62.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.4 tp -91.2 -51.27 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.5 ' HE2' ' CE1' ' A' ' 77' ' ' HIS . 13.2 ptmt -67.75 -45.62 74.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.862 ' CE1' HG23 ' A' ' 64' ' ' ILE . 72.9 m80 -83.04 -46.06 13.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 122.53 175.48 14.72 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.9 p -92.67 -44.16 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 81' ' ' LEU . 4.3 mt-10 -76.53 107.23 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.6 OUTLIER -142.5 179.99 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -131.51 145.14 51.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.4 tt -97.3 117.72 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.56 158.02 57.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 151.28 39.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.45 165.03 13.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.578 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 27.5 m -137.88 139.6 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 p -107.87 132.88 52.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CD2' HG21 ' A' ' 39' ' ' VAL . 2.2 m-85 -107.56 120.56 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -93.87 99.92 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -113.65 143.97 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 18' ' ' THR . 1.2 t -129.77 121.53 27.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.36 105.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 16' ' ' THR . 68.2 p -89.64 63.78 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.3 p -178.77 61.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t70 179.99 143.0 0.36 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 58.94 5.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -164.19 -44.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.413 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 1.7 mm? 67.4 64.34 0.71 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.0 129.45 12.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -118.81 152.16 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 139.61 13.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.0 m -101.49 134.69 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.693 HD23 HG23 ' A' ' 39' ' ' VAL . 30.8 tp -116.2 113.52 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -91.37 125.52 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.505 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.9 m -147.29 158.99 43.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 124.41 8.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 11' ' ' VAL . 44.1 mt-10 -39.77 -47.83 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLU . 2.7 p -39.15 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.596 HG23 ' HD2' ' A' ' 35' ' ' PRO . 19.1 m -80.01 144.76 59.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.03 153.39 41.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.793 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.6 t80 -78.0 -10.05 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.83 -31.77 73.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -73.72 -65.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.693 HG23 HD23 ' A' ' 28' ' ' LEU . 2.0 p -34.41 -48.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.561 HD13 HG13 ' A' ' 56' ' ' ILE . 2.5 tp -44.81 -60.8 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 12.8 mttm -61.79 -58.79 6.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -39.19 -57.65 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.93 -50.8 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -44.81 -54.05 6.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.14 -33.03 68.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -14.92 61.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.413 ' O ' HG13 ' A' ' 49' ' ' VAL . 1.7 m-85 -110.71 3.8 19.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mttt 62.18 27.99 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 32.2 m -110.93 157.33 38.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 134.63 18.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.42 ' HB1' ' HG2' ' A' ' 41' ' ' LYS . . . -83.3 52.23 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.95 -50.37 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.5 p -94.97 41.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -133.44 158.2 43.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.24 130.67 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 HD13 ' A' ' 40' ' ' LEU . 93.4 mt -98.05 130.65 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.861 HD12 ' HA2' ' A' ' 61' ' ' GLY . 6.3 pt -134.29 163.52 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.9 p -84.49 163.56 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -53.27 -32.79 50.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -65.27 -16.65 63.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.861 ' HA2' HD12 ' A' ' 57' ' ' ILE . . . 86.39 48.99 4.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 mm -134.76 137.36 51.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.795 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -57.85 -164.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.503 HG23 ' CD2' ' A' ' 77' ' ' HIS . 5.3 mm -131.28 167.63 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.443 ' N ' HG22 ' A' ' 64' ' ' ILE . 5.3 m120 -137.31 104.85 8.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 51.11 2.68 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.73 -15.73 29.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.457 ' HG2' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -128.73 -176.15 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ASN . 61.4 p -70.07 149.31 47.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -47.86 -46.91 31.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.509 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -58.98 -22.93 56.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.4 m120 -94.8 -14.81 24.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.737 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.457 HG23 ' HG2' ' A' ' 68' ' ' GLN . 40.9 t -94.1 -47.66 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -68.52 -14.19 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.3 tp -91.23 -58.14 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -58.48 -44.93 89.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.503 ' CD2' HG23 ' A' ' 64' ' ' ILE . 92.5 m-70 -84.4 -46.09 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.568 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 119.6 164.59 12.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.4 p -81.69 -38.33 25.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.487 ' O ' HD23 ' A' ' 81' ' ' LEU . 45.6 mt-10 -75.57 105.96 6.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.6 OUTLIER -140.5 167.35 22.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HB3' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -130.0 143.51 50.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 83' ' ' ILE . 11.6 tt -97.67 117.72 42.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -107.48 156.54 37.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.75 5.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -134.81 165.08 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.567 ' HB ' ' CD2' ' A' ' 74' ' ' PHE . 28.6 m -135.59 137.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.561 ' HB2' HG13 ' A' ' 27' ' ' VAL . 2.5 p -113.93 137.6 51.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.04 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.692 ' CE1' ' CE2' ' A' ' 36' ' ' PHE . 14.6 m-85 -105.97 110.62 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HE2' HG22 ' A' ' 27' ' ' VAL . 1.1 ttmm -89.91 95.54 10.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.77 HD12 ' NZ ' ' A' ' 26' ' ' LYS . 17.1 mt -113.24 149.0 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.463 HG21 ' HB3' ' A' ' 23' ' ' LEU . 43.6 m -135.03 125.39 26.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.447 HD12 ' H ' ' A' ' 18' ' ' THR . 48.7 tp -52.51 144.6 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.447 ' H ' HD12 ' A' ' 17' ' ' LEU . 46.7 p -127.78 101.5 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' THR . 4.0 p 163.93 -49.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 110.01 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.32 171.35 6.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.02 -169.47 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' PRO . 27.6 mtp180 37.31 58.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' HB3' HG21 ' A' ' 16' ' ' THR . 4.8 mp -37.29 98.07 0.15 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.99 139.67 24.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -117.64 153.13 33.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.77 ' NZ ' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -142.06 154.5 44.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.561 HG13 ' HB2' ' A' ' 12' ' ' SER . 41.7 t -127.79 99.12 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' CD1' ' HG3' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -91.42 113.38 25.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.484 ' O ' HG13 ' A' ' 30' ' ' VAL . 58.7 p -94.55 132.55 39.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 29' ' ' SER . 35.2 m -156.52 157.78 31.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 122.26 7.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -38.29 -46.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 p -40.48 -38.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.697 HG23 ' HD2' ' A' ' 35' ' ' PRO . 3.0 m -70.57 145.65 92.9 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 110.455 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.697 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.02 160.57 39.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CE2' ' CE1' ' A' ' 13' ' ' PHE . 2.4 t80 -87.71 -10.87 49.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -34.93 77.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -70.21 -66.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.68 HG21 ' CD2' ' A' ' 13' ' ' PHE . 2.2 p -35.93 -42.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.011 HD22 HD12 ' A' ' 56' ' ' ILE . 1.9 tm? -40.46 -53.77 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ALA . 6.0 mttt -69.87 -58.14 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' ALA . 1.2 t80 -41.27 -53.73 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -40.05 -53.22 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.455 ' CA ' HG23 ' A' ' 49' ' ' VAL . . . -45.25 -51.19 11.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -32.61 69.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -66.99 -19.17 65.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 17' ' ' LEU . 10.9 m-85 -112.89 -0.61 14.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mttt 65.72 49.89 1.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.455 HG23 ' CA ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -128.74 161.42 57.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.69 28.09 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.47 54.26 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.77 -52.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 55.4 p -91.23 40.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -138.02 147.03 43.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.623 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . . . -159.95 135.71 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.011 HD12 HD22 ' A' ' 40' ' ' LEU . 51.1 mt -103.64 134.54 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.912 HG22 ' HA2' ' A' ' 63' ' ' GLY . 4.2 pt -136.68 177.16 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.596 HG22 ' HB3' ' A' ' 77' ' ' HIS . 72.3 p -97.72 -178.57 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.8 OUTLIER -80.39 88.85 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 3.4 m-20 159.0 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.34 -30.41 4.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.96 140.4 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.912 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -81.19 -157.21 16.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.582 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 7.7 mm -127.57 149.57 32.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 0.746 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.448 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 8.1 m120 -124.88 103.86 30.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.7 2.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.14 -15.47 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.46 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.7 pm0 -127.22 177.21 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 72' ' ' ASN . 24.9 p -66.28 152.82 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.5 -53.55 11.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.514 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -54.91 -21.89 25.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.1 m-20 -94.79 -18.73 20.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 0.736 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 61.2 t -90.92 -46.68 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.89 -14.48 62.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.533 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.4 tp -91.45 -53.32 4.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.464 ' CG ' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -63.55 -42.22 98.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.596 ' HB3' HG22 ' A' ' 58' ' ' THR . 89.8 m-70 -86.75 -48.29 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.634 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.32 161.22 10.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 p -79.83 -51.97 8.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.18 101.9 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.45 170.26 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -122.07 139.91 53.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 2.1 tt -96.22 116.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.04 155.58 41.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.93 114.1 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.623 ' HD2' ' HB2' ' A' ' 55' ' ' ALA . 1.9 tpt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.31 171.16 12.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.631 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 26.9 m -147.97 140.51 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 p -112.99 124.88 53.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.526 ' CE2' HG22 ' A' ' 30' ' ' VAL . 3.2 m-85 -96.37 117.04 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 95.87 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 81' ' ' LEU . 2.7 mt -110.86 154.6 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 18' ' ' THR . 3.1 m -133.85 112.77 11.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.95 135.61 57.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 16' ' ' THR . 69.6 p -122.44 100.55 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 p 178.36 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -94.08 149.56 37.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 55.53 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -152.33 -45.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 3.3 mp 67.38 64.3 0.71 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.0 146.72 32.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -124.83 149.78 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 0.9 OUTLIER -153.12 133.78 13.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -98.53 126.16 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -101.48 123.04 44.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.41 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 52.3 p -97.64 124.9 42.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.526 HG22 ' CE2' ' A' ' 13' ' ' PHE . 3.3 m -152.1 158.9 33.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.44 17.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' SER . 27.8 mt-10 -40.28 -56.54 1.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -36.06 -63.76 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.559 HG23 ' HD2' ' A' ' 35' ' ' PRO . 1.9 m -39.25 141.57 0.65 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.94 158.44 42.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.545 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.6 t80 -84.47 -11.23 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 4.6 t -62.06 -34.16 75.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -71.29 -66.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 36' ' ' PHE . 2.1 p -35.69 -46.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 1.4 tp -42.89 -62.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.724 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . 5.1 mtpp -61.69 -55.84 26.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.602 ' CD1' HD11 ' A' ' 28' ' ' LEU . 1.3 t80 -41.75 -54.9 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -40.43 -61.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . . . -40.82 -63.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -45.34 -37.79 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -67.59 -37.15 82.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 26' ' ' LYS . 31.4 m-85 -90.79 2.69 55.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.597 ' O ' HG13 ' A' ' 49' ' ' VAL . 0.7 OUTLIER 62.8 69.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -158.5 162.59 26.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.93 6.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.724 ' HB1' ' HA ' ' A' ' 41' ' ' LYS . . . -79.31 -38.11 36.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.9 -40.93 23.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.5 p -105.8 44.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.0 p -125.69 163.24 23.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.62 137.74 11.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 40' ' ' LEU . 97.4 mt -114.46 121.28 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.537 HG22 ' HA2' ' A' ' 63' ' ' GLY . 5.0 pt -117.19 170.22 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -86.47 -169.37 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -93.24 31.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.69 31.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 49.49 49.35 33.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.0 mm -132.66 135.82 56.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.537 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -70.05 -174.88 14.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.589 HG23 ' NE2' ' A' ' 77' ' ' HIS . 61.7 mt -131.93 149.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.4 112.81 23.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.451 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 51.48 2.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.771 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.56 -23.83 39.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -124.08 172.06 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 33' ' ' SER . 42.7 p -55.97 151.46 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.86 -44.01 49.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.64 -24.88 54.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.45 -16.47 22.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -89.88 -46.27 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.03 -13.51 61.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.6 tp -91.46 -52.7 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.505 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -64.45 -41.43 96.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.589 ' NE2' HG23 ' A' ' 64' ' ' ILE . 90.8 m-70 -88.42 -48.25 7.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 109.621 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.62 171.9 13.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 p -94.49 -3.3 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.554 ' O ' HD23 ' A' ' 81' ' ' LEU . 41.1 mt-10 -109.24 103.88 12.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -140.33 166.28 25.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -123.38 142.43 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 83' ' ' ILE . 2.8 tt -96.1 109.8 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pp -106.55 156.73 36.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 127.95 11.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -120.94 168.7 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.438 HG11 ' HA2' ' A' ' 71' ' ' GLY . 17.4 m -137.18 122.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 t -98.24 138.49 35.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.643 ' HE1' HG22 ' A' ' 30' ' ' VAL . 6.4 m-85 -113.08 147.06 38.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.19 95.64 4.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 mt -114.11 148.87 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 18' ' ' THR . 17.8 m -125.66 120.84 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.5 tp -56.34 133.19 52.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 16' ' ' THR . 14.1 p -133.71 92.04 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -178.37 -38.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.6 172.5 6.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.94 55.57 3.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.662 ' O ' HD12 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -173.58 -174.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -156.99 64.4 3.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.03 124.35 8.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.539 1.81 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -74.01 155.03 39.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -131.26 145.84 52.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.68 97.93 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.768 HD11 ' HB3' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -91.47 163.02 14.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.29 116.21 9.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.643 HG22 ' HE1' ' A' ' 13' ' ' PHE . 4.7 m -145.87 158.38 49.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.97 128.76 11.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' PRO . 8.3 pt-20 -36.07 -45.33 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.417 ' O ' ' HB ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -50.27 -52.65 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.033 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.699 HG23 ' HD2' ' A' ' 35' ' ' PRO . 3.5 m -48.35 145.78 5.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.699 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.98 150.62 38.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.593 1.839 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.479 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 3.8 t80 -71.04 -25.15 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 t -55.89 -32.85 64.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.11 75.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.592 HG21 ' CZ ' ' A' ' 13' ' ' PHE . 97.5 t -53.08 -38.19 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.426 ' HB2' HD12 ' A' ' 56' ' ' ILE . 11.1 tp -62.33 -63.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -47.09 -48.61 22.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.768 ' HB3' HD11 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -61.29 -60.31 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -43.73 -49.93 7.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.429 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -48.36 -66.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.0 -38.12 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -47.76 80.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 26' ' ' LYS . 8.8 m-85 -84.0 10.83 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.22 60.34 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 1.6 m -134.85 160.81 67.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 135.7 19.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.77 55.35 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.61 -54.63 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.0 p -91.81 32.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -132.33 156.42 46.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.21 152.48 14.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.426 HD12 ' HB2' ' A' ' 40' ' ' LEU . 50.2 mt -110.14 133.47 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.733 HG22 ' HA2' ' A' ' 63' ' ' GLY . 15.7 pt -141.63 160.4 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 1.085 HG22 HD22 ' A' ' 81' ' ' LEU . 20.7 p -91.0 141.53 28.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.415 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 61' ' ' GLY . 7.1 m120 46.93 27.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.609 ' C ' HD12 ' A' ' 57' ' ' ILE . 0.7 OUTLIER 54.57 16.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 59' ' ' ASN . . . -118.34 -87.16 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.82 140.63 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.733 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -86.05 -160.32 33.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.701 HG23 ' CE1' ' A' ' 77' ' ' HIS . 21.4 mt -142.1 144.97 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.62 107.89 42.1 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 52.03 2.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.56 -16.43 34.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.457 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.1 pm0 -127.38 -175.61 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' ASN . 26.1 p -69.56 148.81 48.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.19 -55.68 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.32 -21.15 11.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' THR . 8.1 m-20 -95.5 -19.73 19.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 72.7 t -88.92 -46.61 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.493 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -69.91 -10.87 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tp -92.16 -40.83 10.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.581 ' HD2' ' CE1' ' A' ' 77' ' ' HIS . 0.7 OUTLIER -82.08 -28.18 32.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.701 ' CE1' HG23 ' A' ' 64' ' ' ILE . 72.9 m80 -99.95 -40.38 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 112.35 176.91 19.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.24 -16.1 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -94.85 102.68 14.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.085 HD22 HG22 ' A' ' 58' ' ' THR . 0.5 OUTLIER -141.43 175.42 9.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.8 151.83 51.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.6 tt -98.06 133.78 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.404 HD11 ' HE ' ' A' ' 86' ' ' ARG . 1.4 pp -133.1 156.81 79.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.94 5.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.404 ' HE ' HD11 ' A' ' 84' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -127.52 166.21 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.56 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 30.2 m -141.47 129.24 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.83 122.42 46.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.599 ' CE2' HG22 ' A' ' 30' ' ' VAL . 1.9 m-85 -98.81 118.24 35.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.47 103.14 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.75 156.66 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 24' ' ' PRO . 3.2 m -138.66 127.0 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.439 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.534 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 8.8 tp -63.82 147.84 50.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -129.12 20.29 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.7 p -107.3 -36.13 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.75 145.39 36.81 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.79 3.76 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -150.79 -45.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 4.8 mp 65.81 63.89 0.96 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.598 ' O ' HG23 ' A' ' 16' ' ' THR . 18.1 Cg_endo -75.07 175.52 11.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -131.62 152.77 50.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -160.53 130.4 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.6 m -102.22 127.26 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD13 HG23 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -101.96 116.77 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.435 ' C ' HG13 ' A' ' 30' ' ' VAL . 18.9 p -94.9 122.52 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.599 HG22 ' CE2' ' A' ' 13' ' ' PHE . 5.3 m -152.85 158.21 33.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.98 123.71 8.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -38.44 -46.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 p -40.0 -37.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.959 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.698 HG23 ' HD2' ' A' ' 35' ' ' PRO . 4.0 m -70.43 145.85 93.46 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.698 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -75.02 157.03 42.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.551 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.5 t80 -82.0 -12.16 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.445 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.2 t -61.34 -33.86 74.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -71.74 -67.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 36' ' ' PHE . 2.1 p -35.93 -45.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.676 ' HA ' HD12 ' A' ' 56' ' ' ILE . 5.8 tt -45.26 -66.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -58.72 -54.01 51.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -43.61 -46.84 7.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.5 37.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HA ' HG23 ' A' ' 49' ' ' VAL . . . -47.93 -59.66 3.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -51.69 -35.17 41.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -30.37 71.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 17' ' ' LEU . 10.9 m-85 -95.25 -5.6 43.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 75.39 49.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.438 HG23 ' HA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -136.58 164.65 41.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 138.35 23.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.64 50.32 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.42 -50.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 68.5 p -96.97 44.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.9 m -135.32 153.41 51.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.26 131.85 8.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 40' ' ' LEU . 92.3 mt -102.48 121.74 53.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.78 HG22 ' HA2' ' A' ' 63' ' ' GLY . 7.1 pt -120.93 169.39 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.414 ' CG2' ' HD2' ' A' ' 77' ' ' HIS . 9.4 p -85.5 -167.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -92.05 19.41 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -131.23 35.29 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 40.48 57.71 2.66 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.8 mm -139.44 137.23 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.78 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -68.97 -170.47 6.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.806 HG23 ' CE1' ' A' ' 77' ' ' HIS . 17.7 mt -132.3 144.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -120.77 112.18 33.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.445 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.98 51.74 2.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.35 -15.58 42.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HG2' HG23 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -130.53 -174.55 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 p -72.9 154.55 40.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.16 -54.29 17.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.499 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.97 -21.56 17.41 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.38 -19.32 20.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 0.807 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' ' 68' ' ' GLN . 17.8 t -89.31 -46.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.499 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -70.32 -10.69 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.7 -44.47 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -77.95 -30.27 50.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.806 ' CE1' HG23 ' A' ' 64' ' ' ILE . 77.1 m80 -96.65 -41.54 8.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 117.25 175.81 17.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.0 p -92.98 -36.81 12.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 110.061 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -84.71 107.94 17.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.49 166.64 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -121.79 137.59 54.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 83' ' ' ILE . 4.2 tt -97.35 113.73 32.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -113.44 154.62 45.42 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.03 119.24 5.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -132.37 168.17 18.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.651 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 30.3 m -131.52 127.21 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -99.95 128.02 46.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.651 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 6.9 m-85 -104.26 110.16 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -92.37 95.41 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -108.46 125.8 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.81 ' CG2' HD23 ' A' ' 23' ' ' LEU . 5.1 m -110.88 111.18 22.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.84 142.09 46.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p -117.95 62.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.69 -45.45 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.616 ' O ' HD12 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -100.39 166.94 11.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.21 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -23.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.81 HD23 ' CG2' ' A' ' 16' ' ' THR . 0.3 OUTLIER 49.46 79.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 112.4 3.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -85.88 148.71 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 1.2 tmtm? -124.79 142.45 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -139.54 99.87 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -98.1 145.96 26.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -115.49 112.83 22.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.627 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.3 m -136.1 160.71 66.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.03 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.52 -40.28 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.6 p -54.27 -46.36 72.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.639 HG23 ' HD2' ' A' ' 35' ' ' PRO . 13.6 m -54.27 145.17 37.44 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.0 159.23 41.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.5 t80 -85.03 -9.89 57.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.446 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 2.4 t -65.28 -33.35 75.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -72.38 -65.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 36' ' ' PHE . 2.0 p -34.12 -46.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.27 -68.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 16.4 mttm -47.93 -55.95 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -41.79 -61.39 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -45.0 -59.43 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.607 ' HB1' HG23 ' A' ' 49' ' ' VAL . . . -40.02 -65.9 0.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.4 -50.49 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.97 -48.69 72.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 23.4 m-85 -69.76 -5.71 27.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.68 59.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.607 HG23 ' HB1' ' A' ' 44' ' ' ALA . 35.7 m -136.29 157.56 75.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.27 33.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.41 54.8 2.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.04 -48.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 40.5 p -93.28 43.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 p -136.68 143.26 43.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 86' ' ' ARG . . . -163.16 119.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.1 mt -90.0 118.82 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.569 HG22 ' HA2' ' A' ' 63' ' ' GLY . 27.1 pt -120.1 135.38 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.579 ' HB ' HD22 ' A' ' 81' ' ' LEU . 1.1 t -87.23 170.73 11.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' N ' ' OG1' ' A' ' 58' ' ' THR . 68.1 m-20 -61.43 88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.23 -30.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 50.33 1.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.645 HG22 ' H ' ' A' ' 64' ' ' ILE . 70.9 mt -128.38 117.49 45.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -58.73 -13.95 20.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.744 HG23 ' CD2' ' A' ' 77' ' ' HIS . 9.7 mt 76.23 141.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -118.57 119.43 32.78 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.446 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 51.87 2.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.29 -24.94 31.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -121.39 -174.5 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' ASN . 30.2 p -73.66 151.32 40.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.97 -52.75 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.517 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -55.98 -21.92 32.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' THR . 17.2 m-20 -95.2 -17.32 21.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 77.1 t -92.1 -46.69 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.517 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -69.47 -10.93 60.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.963 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.8 -48.55 6.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.3 ptpt -72.59 -29.05 63.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.744 ' CD2' HG23 ' A' ' 64' ' ' ILE . 94.4 m-70 -99.55 -50.62 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.593 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 126.47 173.22 13.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.1 p -88.57 -37.54 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.783 . . . . 0.0 110.007 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.931 ' O ' HD23 ' A' ' 81' ' ' LEU . 25.4 mt-10 -85.83 120.0 26.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.931 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -147.86 169.39 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.93 134.26 55.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 83' ' ' ILE . 6.2 tt -95.61 113.66 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -108.1 156.46 38.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.98 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.655 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 4.0 tpt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.59 165.38 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.551 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 3.8 m -136.07 133.43 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 p -100.71 134.25 43.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 8.2 m-85 -114.89 131.84 56.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 95.44 5.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -112.25 147.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 m -131.33 125.44 32.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -61.27 109.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.45 HG21 ' HB3' ' A' ' 82' ' ' ARG . 13.5 p -94.37 75.92 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.0 p -155.25 -66.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.955 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.07 149.84 87.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 74.12 4.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -160.14 -43.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 66.72 66.02 0.72 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.72 6.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -82.79 153.77 25.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.93 145.44 48.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.7 t -133.33 95.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.59 HD11 ' CE1' ' A' ' 42' ' ' PHE . 14.6 tp -97.69 144.24 27.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.07 120.14 32.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 110.04 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG22 ' HE1' ' A' ' 13' ' ' PHE . 3.0 m -146.91 158.95 44.57 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.71 8.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 34' ' ' THR . 14.6 pt-20 -39.24 -45.46 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.9 p -39.12 -30.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.5 HG23 ' HD2' ' A' ' 35' ' ' PRO . 53.7 m -81.38 144.02 52.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.93 160.21 40.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.28 -36.82 58.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 t -43.89 -35.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.424 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.12 -47.09 63.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.0 t -41.36 -43.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD13 ' C ' ' A' ' 40' ' ' LEU . 2.3 tm? -46.18 -70.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.713 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 36.2 mttt -42.12 -61.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -47.29 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.97 -26.38 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -73.65 -69.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.88 -34.73 9.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.31 -37.26 84.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.495 ' HB3' HG13 ' A' ' 49' ' ' VAL . 3.4 m-85 -91.74 4.59 52.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 66.21 21.93 11.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.495 HG13 ' HB3' ' A' ' 47' ' ' PHE . 15.7 m -101.87 157.36 33.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.19 24.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.416 1.745 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.33 41.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.81 -52.67 1.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.6 p -104.03 45.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -138.55 134.88 34.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.23 163.9 31.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.729 HG22 HD12 ' A' ' 64' ' ' ILE . 8.1 mt -114.59 126.88 72.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.5 pt -119.97 157.52 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' GLY . 5.9 t -112.92 170.04 8.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.417 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 12.9 m120 -39.54 136.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 0.4 OUTLIER 76.85 9.18 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' THR . . . 40.34 48.64 3.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -87.87 13.3 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.47 171.95 2.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.849 HG23 ' CG ' ' A' ' 77' ' ' HIS . 26.6 mt -131.77 140.78 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -114.89 106.48 51.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.57 2.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.93 -10.97 56.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.491 ' HG2' HG22 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -130.11 170.4 14.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 72' ' ' ASN . 43.9 p -56.68 149.53 17.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -47.0 -49.33 21.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.443 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -56.71 -23.71 45.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' THR . 2.4 m-20 -95.94 -17.34 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.491 HG22 ' HG2' ' A' ' 68' ' ' GLN . 71.7 t -89.77 -47.07 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.491 ' CZ ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.11 -12.93 62.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -91.28 -62.04 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -56.62 18.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.849 ' CG ' HG23 ' A' ' 64' ' ' ILE . 76.2 m80 -71.02 -46.21 62.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.508 ' O ' HD21 ' A' ' 81' ' ' LEU . . . 122.24 147.87 7.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 t -69.77 -44.24 70.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -77.06 102.66 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.508 HD21 ' O ' ' A' ' 78' ' ' GLY . 0.3 OUTLIER -132.84 175.55 9.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.45 ' HB3' HG21 ' A' ' 18' ' ' THR . 1.0 OUTLIER -124.62 137.66 54.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.439 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 6.1 tt -96.21 114.31 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.67 154.26 44.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.25 7.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -140.51 164.33 30.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -108.33 119.28 39.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.19 119.21 0.48 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.33 119.02 17.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.38 90.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.2 p -105.83 -53.07 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -178.54 -63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.62 109.59 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -123.84 171.11 9.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.478 HG11 ' HA2' ' A' ' 71' ' ' GLY . 5.2 m -145.55 120.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.4 p -96.28 149.62 21.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 36' ' ' PHE . 2.3 m-85 -125.45 149.2 48.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.33 96.4 4.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.19 136.68 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 24' ' ' PRO . 12.9 m -116.26 137.26 52.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.762 HD13 ' CD2' ' A' ' 47' ' ' PHE . 8.0 tp -72.54 109.74 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.8 p -90.18 37.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.8 p -113.84 -35.05 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.67 154.87 37.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.43 9.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 mtm105 -95.96 -23.88 16.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.341 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.18 69.25 2.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' A' ' 16' ' ' THR . 18.2 Cg_endo -75.03 148.28 34.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -125.07 161.54 26.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.21 129.2 8.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 t -91.61 116.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 29' ' ' SER . 25.9 tp -97.66 159.03 15.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.431 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 92.8 p -141.45 117.98 10.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG22 ' HE1' ' A' ' 13' ' ' PHE . 1.3 m -150.79 160.85 31.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.97 121.32 6.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' PRO . 7.7 pt-20 -37.22 -46.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' GLU . 8.9 t -38.06 -38.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.762 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.4 m -66.4 146.63 99.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.762 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.96 134.25 17.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 3.9 t80 -58.83 -14.87 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.455 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -65.02 -30.72 71.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.46 -36.4 68.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.6 t -51.56 -32.96 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.534 ' HA ' HD11 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -62.05 -66.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 11.2 mtpt -42.37 -48.41 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.74 -55.1 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.7 -22.74 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.6 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -77.65 -72.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.35 -33.8 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.51 -39.88 74.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.762 ' CD2' HD13 ' A' ' 17' ' ' LEU . 17.6 m-85 -96.11 8.97 42.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 60.95 41.35 14.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 44' ' ' ALA . 26.9 m -114.89 157.54 42.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.91 13.72 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.432 1.754 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.51 46.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.51 -49.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.7 p -104.45 39.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.95 149.98 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.25 152.2 16.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.534 HD11 ' HA ' ' A' ' 40' ' ' LEU . 6.7 mt -97.48 136.35 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.562 HG22 ' HA2' ' A' ' 63' ' ' GLY . 10.2 pt -131.42 168.97 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.3 p -85.73 -170.21 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -93.82 27.77 2.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.21 19.22 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.65 21.36 60.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.5 mt -103.9 137.83 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -69.52 -170.17 7.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.761 HG23 ' NE2' ' A' ' 77' ' ' HIS . 65.2 mt -138.36 144.92 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.451 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 50.1 m-80 -116.45 107.19 47.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.455 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.04 51.69 2.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.09 20.04 7.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER -162.69 171.27 17.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 72.5 p -56.67 145.15 29.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.5 -41.06 28.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.53 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -60.01 -23.35 59.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -94.94 -17.59 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 68.8 t -91.21 -46.27 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.53 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -71.31 -14.25 62.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.8 tp -91.31 -51.15 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -64.94 -41.96 95.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.761 ' NE2' HG23 ' A' ' 64' ' ' ILE . 94.4 m-70 -88.24 -49.11 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 127.11 178.33 15.27 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 p -94.28 -46.65 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -72.95 102.6 3.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.0 173.63 11.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 145.35 51.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.45 HG21 HD12 ' A' ' 17' ' ' LEU . 5.6 tt -95.44 118.0 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 85' ' ' PRO . 1.9 pp -116.78 156.87 47.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.594 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.2 Cg_endo -75.02 144.57 30.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.447 1.762 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -118.35 149.14 41.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -152.73 126.56 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -83.71 -53.07 5.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.03 134.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.11 -136.16 12.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.48 -63.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 0.811 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.267 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 p -167.27 160.69 13.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.017 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.62 -55.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.61 176.72 29.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.38 69.88 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -160.26 152.73 20.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 m -122.5 97.7 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.21 98.33 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.26 103.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -132.99 177.44 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.654 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 15.4 m -149.21 132.64 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -101.74 139.96 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.654 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 5.6 m-85 -119.61 119.97 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -98.41 96.05 7.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 mt -112.69 148.24 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 18' ' ' THR . 11.9 m -126.01 106.77 9.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -50.4 116.79 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 16' ' ' THR . 49.1 p -100.71 104.47 15.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.37 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 p -175.77 -73.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.6 156.16 89.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.11 4.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.77 -50.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 mp 64.0 65.25 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.44 42.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -125.9 155.45 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.556 ' HZ2' ' HB2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -145.3 139.01 26.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.4 104.26 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.575 HD11 ' CE1' ' A' ' 42' ' ' PHE . 23.7 tp -92.46 160.64 14.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.41 121.27 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.594 HG22 ' HE1' ' A' ' 13' ' ' PHE . 2.5 m -149.66 157.39 38.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.01 7.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' THR . 11.9 pt-20 -39.02 -45.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' GLU . 37.1 p -38.86 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.63 HG23 ' HD2' ' A' ' 35' ' ' PRO . 15.6 m -79.62 145.08 62.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.362 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.0 131.31 14.15 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.435 ' HA ' HG23 ' A' ' 39' ' ' VAL . 3.9 t80 -50.07 -23.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.66 -25.53 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.454 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.05 49.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 36' ' ' PHE . 66.4 t -56.59 -62.41 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -45.81 -46.06 15.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -61.09 -42.98 99.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.4 t80 -67.19 -53.01 34.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.442 ' HB2' ' HZ1' ' A' ' 26' ' ' LYS . . . -48.54 -37.31 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.509 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -60.45 -51.6 68.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -61.72 -16.52 49.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -37.58 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.964 ' O ' HG13 ' A' ' 49' ' ' VAL . 44.7 m-85 -94.87 25.7 3.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 42.33 48.16 4.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.964 HG13 ' O ' ' A' ' 47' ' ' PHE . 34.8 m -130.58 157.52 77.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.97 22.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.68 49.17 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.02 -49.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 p -93.86 36.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.1 p -129.45 157.83 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ILE . . . -161.87 152.31 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.572 HG22 HD12 ' A' ' 64' ' ' ILE . 74.1 mt -118.06 140.62 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 pt -136.59 179.31 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.5 p -98.43 -166.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -95.13 37.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.37 20.06 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.9 55.95 21.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.969 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.491 HG22 ' H ' ' A' ' 63' ' ' GLY . 1.5 mt -119.89 -140.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 62' ' ' ILE . . . -161.87 121.57 1.03 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.916 HG23 ' CD2' ' A' ' 77' ' ' HIS . 59.1 mt -66.17 146.91 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -116.18 106.84 48.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 51.81 2.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.49 -25.67 23.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.3 pm0 -119.99 167.85 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.5 p -51.15 148.55 4.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.49 -48.06 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -58.1 -22.9 50.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -95.4 -16.02 22.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG1' ' CG2' ' A' ' 64' ' ' ILE . 74.6 t -92.11 -46.28 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.5 ' O ' ' CA ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -71.02 -11.04 60.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.68 -45.14 8.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -74.51 -27.39 60.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.916 ' CD2' HG23 ' A' ' 64' ' ' ILE . 96.8 m-70 -102.27 -51.58 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.639 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.92 176.24 14.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.19 -33.64 15.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -83.87 105.01 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.91 166.24 25.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -119.09 135.75 54.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.3 tt -96.7 126.31 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' ALA . 2.0 pp -121.2 156.82 56.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.47 9.33 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -40.21 145.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -88.93 -50.59 6.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 44.31 65.41 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 p -116.84 -42.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.5 147.3 10.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.18 -58.39 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.8 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 108.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.68 89.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -158.34 -59.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.8 81.17 0.25 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.8 74.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.49 86.7 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.5 p -135.65 142.57 45.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.8 ttp -166.94 91.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.5 p -177.95 84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -113.8 161.2 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.62 HG11 ' CE1' ' A' ' 74' ' ' PHE . 27.2 m -135.81 136.17 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 p -105.85 127.28 53.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.615 ' CE1' HG22 ' A' ' 30' ' ' VAL . 4.3 m-85 -100.25 121.72 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.77 95.33 7.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -120.73 154.97 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -129.61 133.17 47.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.747 ' O ' HD13 ' A' ' 23' ' ' LEU . 6.1 tp -68.86 139.67 55.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 19' ' ' SER . 7.7 p -127.77 115.88 19.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 18' ' ' THR . 2.1 p 165.14 -31.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.04 154.14 45.11 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 55.64 3.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.6 -45.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.747 HD13 ' O ' ' A' ' 17' ' ' LEU . 4.0 mm? 61.75 64.48 1.96 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.502 ' CG ' HD23 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.98 138.95 23.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -123.56 152.22 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.23 137.35 9.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 m -96.77 122.37 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.536 HD11 ' CG ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -98.58 125.72 43.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -100.31 117.06 33.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.615 HG22 ' CE1' ' A' ' 13' ' ' PHE . 2.3 m -142.23 160.86 53.31 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.06 21.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.475 ' HG2' HG13 ' A' ' 11' ' ' VAL . 45.0 mt-10 -48.43 -57.52 5.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' GLU . 22.9 t -36.65 -59.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.669 HG23 ' HD2' ' A' ' 35' ' ' PRO . 3.8 m -43.68 145.72 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.05 146.34 32.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.612 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 4.3 t80 -66.76 -20.4 65.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -58.12 -35.56 71.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.433 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.25 -41.53 89.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 97.2 t -48.04 -30.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.74 -64.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 4.3 mtpp -51.44 -52.87 42.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.536 ' CG ' HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -55.23 -60.28 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 39' ' ' VAL . . . -48.63 -45.11 37.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.51 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -49.62 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -43.68 -48.94 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -52.45 59.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -76.49 -3.95 40.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mttm 58.65 67.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.51 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 2.5 m -135.46 160.4 68.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 142.29 27.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.03 52.76 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.32 -52.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 11.4 p -102.08 52.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.5 p -140.9 137.26 33.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' ILE . . . -163.16 144.79 9.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.1 mt -107.23 133.9 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 2.9 pt -134.41 171.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 p -83.28 -169.33 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -96.32 34.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.567 ' HB3' HD11 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -147.66 27.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.61 78.98 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.567 HD11 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -144.77 -147.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.758 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.68 113.67 0.58 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.808 HG23 ' CD2' ' A' ' 77' ' ' HIS . 35.9 mt -59.52 142.96 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -107.61 106.51 58.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 51.7 2.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.17 -32.32 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.458 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.05 174.67 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASN . 31.8 p -60.54 151.26 29.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.24 -51.57 18.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.552 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.47 -22.22 37.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' THR . 80.1 m-20 -95.03 -15.83 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 68.9 t -93.58 -46.18 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.62 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.45 -15.3 62.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 3.3 tp -89.31 -48.85 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.536 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -65.7 -43.33 89.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.808 ' CD2' HG23 ' A' ' 64' ' ' ILE . 92.1 m-70 -86.7 -49.77 7.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.497 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 126.34 178.71 15.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.5 p -99.91 8.19 44.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.925 ' O ' HD23 ' A' ' 81' ' ' LEU . 7.5 mt-10 -119.45 106.69 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -147.24 170.74 16.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -125.23 142.52 51.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 83' ' ' ILE . 7.5 tt -96.31 110.63 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.9 pp -104.66 156.6 35.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.96 112.43 3.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.556 1.819 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -61.44 104.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.1 101.17 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.76 -49.65 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.8 p -93.54 141.7 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 72.12 -167.7 52.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.71 -59.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.2 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.352 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.69 87.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 110.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -154.53 159.46 40.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.62 106.0 0.2 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.17 -57.54 9.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 54.23 91.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.3 p -46.63 170.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.04 97.76 5.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.2 t -177.45 120.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.044 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -126.27 153.87 44.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.435 HG12 ' CZ ' ' A' ' 74' ' ' PHE . 9.7 m -118.96 125.77 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.5 p -98.77 126.51 44.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' CE2' ' A' ' 36' ' ' PHE . 5.2 m-85 -101.16 167.31 10.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.12 99.92 3.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -118.91 153.21 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 24' ' ' PRO . 1.2 m -138.73 140.92 38.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.698 HD13 ' CD1' ' A' ' 47' ' ' PHE . 2.5 tp -65.81 138.82 58.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.9 p -103.55 -35.06 8.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.9 t -57.22 -87.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -47.36 157.12 0.56 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -75.0 -165.72 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 69.6 -58.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 78.75 71.99 0.17 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.677 ' O ' HG23 ' A' ' 16' ' ' THR . 18.3 Cg_endo -75.02 165.71 30.7 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -131.66 156.43 45.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HZ2' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -155.05 130.66 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 t -98.33 121.92 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.584 HD21 ' CE1' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -93.25 162.78 13.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.401 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -141.46 109.52 5.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG22 ' HE1' ' A' ' 13' ' ' PHE . 1.3 m -142.96 161.96 45.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.97 122.38 7.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' PRO . 14.8 pt-20 -36.64 -46.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t -43.47 -48.79 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.72 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -56.66 146.26 57.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.72 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.92 158.76 42.31 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.584 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 2.1 t80 -79.31 -9.15 59.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 t -69.93 -35.93 74.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.18 -21.16 56.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.518 HG13 HD13 ' A' ' 28' ' ' LEU . 82.2 t -68.07 -43.77 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.493 HD12 HG13 ' A' ' 56' ' ' ILE . 1.6 tt -49.52 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -45.33 -58.97 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.584 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.3 t80 -48.51 -47.06 39.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -58.72 -70.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.18 -35.74 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.45 -46.68 88.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -62.86 -47.99 80.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.698 ' CD1' HD13 ' A' ' 17' ' ' LEU . 39.1 m-85 -65.43 -16.42 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 71.56 62.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.37 161.25 39.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.48 12.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.45 -13.23 57.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.64 81.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 p -118.28 37.99 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 p -121.34 155.91 33.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.656 ' HB2' ' HG3' ' A' ' 86' ' ' ARG . . . -162.5 151.27 14.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.493 HG13 HD12 ' A' ' 40' ' ' LEU . 79.1 mt -116.14 139.72 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.401 HD12 ' HA2' ' A' ' 61' ' ' GLY . 9.3 pt -142.11 170.05 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.955 HG22 HD22 ' A' ' 81' ' ' LEU . 71.8 p -103.26 -166.32 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 1.7 m-20 -72.42 153.94 41.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 7.1 t0 84.82 -48.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' HA2' HD12 ' A' ' 57' ' ' ILE . . . 128.96 55.98 0.11 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.8 mm -119.61 122.39 68.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.42 -163.85 2.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.761 HG23 ' ND1' ' A' ' 77' ' ' HIS . 7.4 mt -135.9 145.37 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.71 103.57 55.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.63 2.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.97 -21.95 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -121.71 171.7 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.413 ' O ' HG23 ' A' ' 73' ' ' VAL . 67.8 p -59.42 151.98 22.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.32 -48.14 25.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.46 -23.91 50.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' THR . 43.5 m-20 -95.27 -14.16 24.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.438 ' CG1' ' CG2' ' A' ' 64' ' ' ILE . 75.7 t -93.7 -45.55 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.491 ' O ' ' CA ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -72.63 -14.06 61.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.9 tp -90.14 -40.84 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.55 ' HE2' ' CE1' ' A' ' 77' ' ' HIS . 0.5 OUTLIER -74.51 -41.64 60.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.761 ' ND1' HG23 ' A' ' 64' ' ' ILE . 73.4 m80 -90.32 -50.49 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 129.83 -169.83 20.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 p -102.31 -34.11 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -83.62 104.83 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.955 HD22 HG22 ' A' ' 58' ' ' THR . 0.8 OUTLIER -136.82 165.97 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -121.23 139.83 52.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 83' ' ' ILE . 3.1 tt -96.95 112.1 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.2 pp -111.06 156.5 40.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.79 8.14 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.506 1.792 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.656 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -73.92 107.55 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.46 97.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -67.22 -49.84 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.6 m -78.89 166.02 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.97 -177.66 18.28 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.533 1.145 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.2 -58.68 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 p -53.9 156.02 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -146.47 146.95 30.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.9 151.0 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.95 141.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.55 166.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 m 62.94 140.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 mtm 61.04 166.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -148.33 123.99 10.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -109.98 166.8 10.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.697 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 6.1 m -135.53 124.0 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.2 p -91.02 135.03 34.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.697 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 4.2 m-85 -114.25 125.34 53.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.9 95.43 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mt -110.45 159.2 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.661 HG21 HD23 ' A' ' 23' ' ' LEU . 2.6 m -134.7 137.07 43.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 tp -81.77 122.58 27.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.5 p -104.86 68.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.2 p -139.5 -70.12 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.98 153.55 86.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.56 5.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.53 -47.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.661 HD23 HG21 ' A' ' 16' ' ' THR . 0.7 OUTLIER 66.93 64.43 0.76 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -74.94 127.79 11.01 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 5.1 p90 -80.64 153.11 28.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -131.66 143.87 50.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 t -133.45 98.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.667 HD11 ' CE1' ' A' ' 42' ' ' PHE . 26.2 tp -97.54 149.27 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.58 111.67 15.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.649 HG22 ' CE1' ' A' ' 13' ' ' PHE . 1.8 m -137.83 160.96 62.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.99 126.34 9.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' PRO . 12.1 pt-20 -35.36 -47.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.415 ' O ' ' HB ' ' A' ' 69' ' ' THR . 0.9 OUTLIER -44.79 -56.88 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -44.76 141.84 2.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 34' ' ' THR . 18.2 Cg_endo -74.97 148.71 35.78 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CE2' ' CD2' ' A' ' 13' ' ' PHE . 2.5 t80 -71.84 -8.51 54.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 t -69.98 -35.27 74.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.64 -33.39 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.39 -47.4 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -48.59 -59.53 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -62.43 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.667 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.4 t80 -43.0 -52.13 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 -61.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' PHE . . . -42.07 -66.46 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.31 -34.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CB ' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -71.96 -43.59 64.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 26' ' ' LYS . 8.9 m-85 -83.41 9.61 10.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' O ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER 54.18 73.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -155.2 163.95 22.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.6 10.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.43 49.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.66 -49.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.3 p -95.89 48.09 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -135.29 164.9 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' A' ' 86' ' ' ARG . . . -162.54 153.36 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.871 HG22 HD12 ' A' ' 64' ' ' ILE . 54.2 mt -115.55 143.85 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.414 HG22 ' HA2' ' A' ' 63' ' ' GLY . 3.0 pt -147.55 173.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.8 p -104.76 166.03 10.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 71.6 m-80 -65.41 87.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER 159.3 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.68 -35.14 3.39 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.5 mm -46.47 132.27 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -84.23 -166.56 41.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.878 HG23 ' CD2' ' A' ' 77' ' ' HIS . 39.4 mt -133.76 145.85 32.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -119.84 114.07 34.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 51.7 2.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.86 -27.74 30.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.449 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -117.42 177.29 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 33' ' ' SER . 32.4 p -63.94 158.81 21.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -51.07 -53.6 32.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.57 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.8 -20.53 33.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -94.91 -17.25 22.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 42.3 t -93.92 -45.86 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.611 ' CZ ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.34 -13.05 62.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.072 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.28 -46.13 8.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -68.19 -42.08 80.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.878 ' CD2' HG23 ' A' ' 64' ' ' ILE . 92.1 m-70 -89.72 -48.61 7.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.52 -178.25 16.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 p -101.45 3.89 40.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.918 ' O ' HD23 ' A' ' 81' ' ' LEU . 49.9 mt-10 -118.86 108.65 15.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.918 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -146.74 -177.05 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 146.26 49.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.52 ' O ' HG23 ' A' ' 83' ' ' ILE . 6.3 tt -103.94 109.07 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 85' ' ' PRO . 0.9 OUTLIER -109.22 154.77 41.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.576 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.6 Cg_endo -74.93 134.87 18.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.414 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 4.2 ttm-85 -163.76 132.12 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -128.52 106.71 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -86.22 -60.32 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 90' ' ' GLY . 8.0 p -163.47 -51.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.481 ' N ' HG13 ' A' ' 89' ' ' VAL . . . 82.92 146.94 6.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 t -147.21 114.57 6.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 108.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.05 123.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 110.062 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -109.13 -58.84 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.8 156.76 30.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.92 94.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.12 176.61 9.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -59.82 97.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -41.03 123.58 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p -176.76 101.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -132.5 172.29 12.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.694 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 17.7 m -146.92 127.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.19 124.3 47.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.04 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.694 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.52 130.91 51.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -95.84 95.37 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -109.78 151.16 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.687 ' CG2' HD12 ' A' ' 23' ' ' LEU . 1.3 m -131.71 114.44 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.726 HD11 ' OG ' ' A' ' 19' ' ' SER . 10.5 tp -61.02 131.07 49.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 16' ' ' THR . 59.2 p -128.89 60.89 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.726 ' OG ' HD11 ' A' ' 17' ' ' LEU . 59.8 p -147.97 56.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 19' ' ' SER . 0.4 OUTLIER 163.4 172.15 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.1 Cg_endo -75.0 56.5 4.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.502 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -172.83 158.24 3.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.687 HD12 ' CG2' ' A' ' 16' ' ' THR . 2.7 mm? -133.15 66.5 75.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.29 30.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -123.47 153.18 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.482 ' CE ' ' HA ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -160.47 133.86 6.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.9 m -100.18 121.78 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.484 HD11 ' CE2' ' A' ' 42' ' ' PHE . 6.7 tp -103.26 124.62 48.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.71 121.92 44.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.619 HG22 ' HE1' ' A' ' 13' ' ' PHE . 15.5 m -141.4 158.25 64.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.9 8.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.47 ' O ' ' HB ' ' A' ' 69' ' ' THR . 17.1 pt-20 -39.07 -44.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' GLU . 6.2 t -38.47 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.737 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.4 m -86.65 146.58 41.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.478 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.737 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.5 Cg_endo -74.95 142.59 28.19 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.442 ' CE2' ' CD2' ' A' ' 13' ' ' PHE . 6.9 t80 -59.74 -13.92 12.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.447 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.2 t -68.15 -29.27 68.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.52 -27.12 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.467 HG13 HD23 ' A' ' 28' ' ' LEU . 69.9 t -62.01 -45.1 99.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.517 ' HB2' HD12 ' A' ' 56' ' ' ILE . 0.7 OUTLIER -52.82 -66.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -59.59 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.484 ' CE2' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -49.32 -59.51 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.482 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -45.22 -63.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.603 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . . . -43.66 -61.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -51.31 -41.34 60.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' CB ' ' HE2' ' A' ' 26' ' ' LYS . 5.8 mm-40 -65.75 -20.46 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.478 ' O ' HG13 ' A' ' 49' ' ' VAL . 6.3 m-85 -102.25 3.62 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.24 44.08 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 47' ' ' PHE . 16.2 m -134.37 156.96 78.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 123.51 7.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -82.38 -14.87 54.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.58 -39.77 77.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.5 p -112.04 40.57 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.2 p -119.49 155.38 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.17 149.57 23.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.517 HD12 ' HB2' ' A' ' 40' ' ' LEU . 25.9 mt -120.07 143.82 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 pt -144.52 163.06 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 p -90.25 156.76 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -61.72 88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 166.06 -30.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.83 31.5 3.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 62' ' ' ILE . 21.1 mm -112.01 130.99 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.39 -167.11 4.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.906 HG23 ' CD2' ' A' ' 77' ' ' HIS . 12.6 mt -138.11 146.65 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.43 103.57 54.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 51.74 2.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.13 -6.71 27.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -131.81 170.72 14.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 19.3 p -58.94 147.07 35.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.06 -45.65 32.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.646 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -60.17 -22.57 58.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.5 m-20 -95.1 -14.63 24.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 42.1 t -93.88 -46.72 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.495 ' O ' ' CA ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -70.11 -10.84 60.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.63 -48.19 6.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.0 ptpt -72.29 -29.27 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.906 ' CD2' HG23 ' A' ' 64' ' ' ILE . 96.3 m-70 -99.43 -50.61 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.01 -174.55 17.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 p -102.07 -36.78 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.663 ' O ' HD23 ' A' ' 81' ' ' LEU . 6.9 mt-10 -76.39 101.97 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.7 OUTLIER -142.08 160.7 39.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -117.17 138.75 51.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 83' ' ' ILE . 8.1 tt -95.95 104.99 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -105.63 154.11 39.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 131.86 14.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -43.24 -58.82 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.2 t70 63.81 94.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -60.84 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 89' ' ' VAL . 11.9 p -173.74 64.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 173.13 139.73 2.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -93.29 -68.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -49.84 168.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 110.046 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -94.08 131.08 39.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.22 117.55 1.24 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.52 109.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 73.94 2.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.7 p -120.54 108.21 13.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.7 124.69 44.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.9 p -140.11 94.13 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -126.85 166.83 16.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 14.9 m -132.09 150.37 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.7 p -116.29 126.38 53.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CE2' HG22 ' A' ' 30' ' ' VAL . 16.4 m-85 -102.12 121.67 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.62 95.39 6.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' LYS . 3.9 mt -121.39 145.07 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.1 m -123.8 131.71 53.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.553 ' O ' HD13 ' A' ' 23' ' ' LEU . 5.9 tp -64.76 127.94 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.401 HG22 HD11 ' A' ' 23' ' ' LEU . 17.9 p -110.79 92.96 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.4 p -170.64 -64.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.07 153.47 74.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 69.65 5.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.05 -44.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 17' ' ' LEU . 2.5 mm? 59.28 64.32 3.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.0 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -71.61 154.04 41.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HZ1' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -130.65 147.92 52.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 t -137.69 95.96 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.811 HD21 ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -93.97 137.13 33.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -112.69 115.41 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.588 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.5 m -145.29 161.12 43.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.77 38.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.469 ' HG2' ' CG1' ' A' ' 11' ' ' VAL . 44.6 mt-10 -55.16 -57.87 9.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -37.98 -59.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.052 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -39.29 144.52 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.05 157.57 42.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.451 1.763 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.433 ' HE1' HD13 ' A' ' 56' ' ' ILE . 4.6 t80 -83.56 -39.06 20.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 t -43.17 -34.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.64 -48.02 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.9 t -40.9 -38.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.65 HD13 ' C ' ' A' ' 40' ' ' LEU . 1.6 tm? -55.4 -62.16 1.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -57.67 9.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.811 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -49.46 -46.71 48.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.09 -58.21 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.42 ' HA ' HG23 ' A' ' 49' ' ' VAL . . . -47.98 -54.99 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.97 -23.44 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' CG ' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -78.95 -39.95 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 26' ' ' LYS . 20.0 m-85 -89.87 16.13 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.56 61.63 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG23 ' HA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -140.85 163.8 40.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.28 20.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.809 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.21 53.15 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.05 -54.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 20.4 p -90.42 40.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.457 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -140.97 151.06 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HB2' ' HG3' ' A' ' 86' ' ' ARG . . . -161.8 165.98 27.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 64' ' ' ILE . 29.5 mt -116.74 140.0 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.4 pt -137.05 163.52 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 62' ' ' ILE . 71.8 p -81.28 164.05 22.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -59.21 -42.33 90.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -19.94 38.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.59 53.2 2.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 58' ' ' THR . 64.3 mt -138.57 138.88 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.46 169.98 3.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.789 HG23 ' CD2' ' A' ' 77' ' ' HIS . 55.5 mt -119.65 142.87 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.34 103.8 53.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 51.46 2.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.6 -22.36 32.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -115.96 178.46 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' ASN . 71.9 p -65.34 150.99 47.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.98 -50.76 18.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.453 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.18 -22.6 44.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.5 m-80 -95.77 -15.26 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 54.2 t -93.27 -47.17 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CE2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -67.85 -13.02 61.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.43 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -90.72 -59.58 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.552 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -58.17 -57.21 13.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.789 ' CD2' HG23 ' A' ' 64' ' ' ILE . 88.8 m-70 -71.81 -47.79 50.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.488 ' O ' HD11 ' A' ' 81' ' ' LEU . . . 122.83 156.56 9.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.3 p -77.86 -47.02 19.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 0.805 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -72.96 106.19 4.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.488 HD11 ' O ' ' A' ' 78' ' ' GLY . 0.5 OUTLIER -139.18 176.97 8.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -123.82 144.75 49.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 83' ' ' ILE . 13.7 tt -96.75 111.83 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -109.65 156.66 39.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -74.97 131.35 14.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.561 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -78.22 135.46 37.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.21 96.08 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -118.97 56.82 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 92.0 t 63.28 143.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.62 -149.06 19.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.6 p -113.68 98.38 7.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.334 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m 61.77 155.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 110.007 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -73.94 155.13 38.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.48 134.16 7.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -109.58 116.74 32.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 0.79 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.71 108.94 19.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.9 p -110.13 -51.15 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.2 ttt 179.98 -50.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.8 p -67.71 99.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -132.49 159.14 40.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.583 HG11 ' HA2' ' A' ' 71' ' ' GLY . 34.7 m -120.07 147.95 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.445 ' HB2' HG23 ' A' ' 27' ' ' VAL . 3.9 p -120.07 134.0 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.508 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 7.9 m-85 -111.59 110.76 21.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -95.19 99.25 11.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -112.15 155.18 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 24' ' ' PRO . 34.4 m -136.22 118.46 15.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.459 HD12 ' H ' ' A' ' 18' ' ' THR . 6.6 tp -54.29 148.24 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.459 ' H ' HD12 ' A' ' 17' ' ' LEU . 79.0 p -123.38 89.99 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 p -169.08 -58.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.046 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.12 168.28 22.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -36.07 2.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.781 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -95.55 63.93 2.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 16' ' ' THR . 1.8 mp -39.2 99.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.739 ' O ' HG23 ' A' ' 16' ' ' THR . 18.3 Cg_endo -75.02 158.47 42.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -116.46 154.6 30.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.603 ' NZ ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -148.7 129.97 14.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 12' ' ' SER . 0.2 OUTLIER -117.79 116.44 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD12 ' NZ ' ' A' ' 26' ' ' LYS . 1.7 mt -91.5 173.15 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.5 p -145.08 113.3 6.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -145.06 163.36 33.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 132.48 15.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -45.09 -25.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -68.42 -46.79 68.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.684 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -52.33 144.88 21.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.684 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.98 158.85 42.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CE2' ' CD1' ' A' ' 13' ' ' PHE . 2.5 t80 -83.71 -11.2 57.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -30.37 66.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.23 -27.41 53.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' LEU . 97.8 t -61.06 -55.19 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.437 HD13 HG13 ' A' ' 56' ' ' ILE . 4.5 tp -40.41 -61.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 16.2 mttt -45.16 -54.3 7.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -58.67 -58.71 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.964 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' PHE . . . -39.67 -48.4 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.626 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -47.95 -53.29 16.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.89 -39.88 69.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.39 -32.37 70.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.824 ' O ' HG13 ' A' ' 49' ' ' VAL . 20.6 m-85 -104.06 19.76 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.27 59.0 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.824 HG13 ' O ' ' A' ' 47' ' ' PHE . 34.0 m -134.6 157.39 77.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.97 21.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.45 60.81 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.57 -49.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.2 p -98.82 36.54 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -140.33 158.44 44.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.57 155.53 19.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.437 HG13 HD13 ' A' ' 40' ' ' LEU . 65.5 mt -114.18 138.95 42.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.47 HD12 ' CA ' ' A' ' 61' ' ' GLY . 31.9 pt -131.86 162.21 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.911 HG23 HG22 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -107.24 173.77 6.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.455 ' N ' ' OG1' ' A' ' 58' ' ' THR . 31.9 m-20 -40.19 138.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.23 13.95 9.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.47 ' CA ' HD12 ' A' ' 57' ' ' ILE . . . 37.91 62.12 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.911 HG22 HG23 ' A' ' 58' ' ' THR . 4.8 tt -90.91 8.46 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 62' ' ' ILE . . . 58.01 116.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.506 HG23 ' CD2' ' A' ' 77' ' ' HIS . 84.4 mt -73.25 163.35 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.461 ' N ' HG22 ' A' ' 64' ' ' ILE . 3.1 m-80 -140.76 120.44 8.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.46 2.78 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.454 1.766 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.77 -30.14 36.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.424 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.6 pm0 -125.85 170.38 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' ASN . 44.8 p -55.39 152.01 9.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.43 -52.94 12.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.583 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -55.67 -22.06 31.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 69' ' ' THR . 75.9 m-20 -95.66 -17.88 20.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 77' ' ' HIS . 75.0 t -90.98 -46.48 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.493 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -69.28 -11.04 60.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.51 -48.63 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.53 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -72.55 -29.51 63.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.53 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 95.3 m-70 -97.62 -50.24 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.637 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.57 171.2 13.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.49 -29.12 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.055 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.534 ' O ' HD23 ' A' ' 81' ' ' LEU . 25.2 mt-10 -89.54 109.0 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 80' ' ' GLU . 1.1 mt -142.58 163.56 32.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.19 144.81 43.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.5 tt -101.24 121.66 52.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 85' ' ' PRO . 1.6 pp -113.75 154.8 45.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.415 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.2 Cg_endo -75.05 140.27 25.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -117.07 77.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -154.25 130.29 10.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -66.05 -47.37 74.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.1 p -137.61 153.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.46 -169.8 18.21 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.4 t 57.0 108.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.047 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.331 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m 63.08 161.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 63.15 160.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.56 115.92 0.59 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -169.49 164.56 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.29 174.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 m -45.52 119.82 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ttt -74.97 108.9 8.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.65 120.38 21.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -135.49 175.53 9.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.57 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 29.5 m -150.26 143.66 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.5 p -113.06 121.54 44.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.963 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.644 ' HE2' HG22 ' A' ' 30' ' ' VAL . 11.3 m-85 -98.62 117.19 32.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.13 98.03 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.401 HG21 ' HB ' ' A' ' 83' ' ' ILE . 7.8 mt -113.92 153.14 15.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.521 HG22 HD23 ' A' ' 23' ' ' LEU . 42.1 m -132.55 103.04 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.406 HD11 ' OG ' ' A' ' 19' ' ' SER . 7.8 tp -60.13 103.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -97.01 47.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.443 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.406 ' OG ' HD11 ' A' ' 17' ' ' LEU . 66.3 p -109.16 6.92 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.92 160.57 30.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.24 3.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.25 -49.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.521 HD23 HG22 ' A' ' 16' ' ' THR . 1.9 mp 65.41 64.08 1.01 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -74.98 108.4 2.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -91.57 149.67 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.643 ' HZ2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -160.72 133.24 6.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -89.67 129.01 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.681 HD11 ' CE1' ' A' ' 42' ' ' PHE . 57.2 tp -106.74 125.25 50.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.418 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 16.3 p -102.1 124.84 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.644 HG22 ' HE2' ' A' ' 13' ' ' PHE . 2.6 m -151.17 158.9 34.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -75.0 118.0 5.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' THR . 8.0 pt-20 -38.2 -46.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -38.27 -31.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.024 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.7 m -76.64 146.68 77.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -75.02 124.72 8.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -43.85 -25.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.444 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.1 t -56.42 -30.89 63.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.12 -41.57 70.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.661 HG13 HD23 ' A' ' 28' ' ' LEU . 98.3 t -45.68 -49.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.867 HD11 ' OG ' ' A' ' 54' ' ' SER . 6.8 tp -48.55 -58.45 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -55.49 -58.08 9.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.681 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -47.58 -63.29 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.42 -58.27 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.459 ' CA ' HG23 ' A' ' 49' ' ' VAL . . . -42.05 -65.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -46.33 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -38.23 75.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -86.6 13.93 7.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.65 55.41 9.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.459 HG23 ' CA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -130.06 164.04 43.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.79 5.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.84 55.9 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.25 -47.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 46.5 p -103.11 46.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.867 ' OG ' HD11 ' A' ' 40' ' ' LEU . 10.6 p -130.1 155.9 45.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.13 153.83 18.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.7 mt -116.59 135.16 57.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 pt -127.22 171.72 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.5 p -95.17 -166.26 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -92.53 28.77 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -157.57 26.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 37.33 48.62 1.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 6.0 mt -105.38 1.94 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.51 -177.76 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 65' ' ' ASN . 2.9 mm -123.0 168.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.528 ' N ' HG22 ' A' ' 64' ' ' ILE . 34.9 m-20 -135.93 99.1 11.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.444 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 51.62 2.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.4 -17.63 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.1 pm0 -127.07 165.58 19.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 74.7 p -50.92 149.15 3.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.448 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.36 -50.11 52.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.567 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -55.86 -20.98 28.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -94.76 -16.56 22.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 71.4 t -93.75 -45.92 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -70.42 -12.54 61.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 3.8 tp -91.89 -46.18 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.483 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -72.53 -27.04 61.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.5 ' ND1' HD13 ' A' ' 64' ' ' ILE . 97.2 m-70 -102.58 -50.62 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 130.82 -168.61 21.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 p -109.31 -31.06 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -83.59 105.54 14.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.61 164.64 29.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -115.34 136.84 52.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 83' ' ' ILE . 10.1 tt -98.71 112.4 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pp -121.75 156.72 58.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.98 122.62 7.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.779 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -53.4 160.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.67 122.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -65.02 -68.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.8 m -126.13 -44.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.14 172.23 25.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.7 p 45.92 79.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 0.0 110.021 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 108.318 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -123.76 168.84 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -170.03 150.18 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.42 105.96 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.81 -62.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.6 91.07 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t -169.91 142.92 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.42 91.0 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 p -161.48 116.12 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -132.75 168.76 17.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.586 HG11 ' CE1' ' A' ' 74' ' ' PHE . 15.9 m -140.14 133.15 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.516 ' HB3' HG23 ' A' ' 27' ' ' VAL . 27.6 m -99.8 141.41 32.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.693 ' CE2' HG22 ' A' ' 30' ' ' VAL . 7.5 m-85 -116.67 110.57 18.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -87.63 95.3 10.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 mt -113.71 136.65 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 24' ' ' PRO . 1.2 m -112.56 112.72 24.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.705 HD22 ' CD1' ' A' ' 47' ' ' PHE . 11.7 tp -54.95 128.4 33.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -99.85 -25.7 14.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.361 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -52.72 -45.29 66.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.26 155.03 60.33 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' HD12 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.02 -45.76 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -47.09 -30.77 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 57.37 64.63 4.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.04 164.36 33.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -113.95 151.82 31.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -137.06 145.24 43.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.516 HG23 ' HB3' ' A' ' 12' ' ' SER . 0.2 OUTLIER -139.48 95.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 42' ' ' PHE . 6.0 tp -93.62 140.01 30.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.12 117.73 34.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.693 HG22 ' CE2' ' A' ' 13' ' ' PHE . 2.5 m -136.76 160.12 67.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.74 18.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 33' ' ' SER . 29.2 mt-10 -40.85 -58.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.2 m -37.26 -64.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.625 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -38.09 143.27 0.42 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.625 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.93 146.62 33.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CE2' ' CE1' ' A' ' 13' ' ' PHE . 4.3 t80 -66.13 -25.38 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 2.3 t -53.65 -35.31 60.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.9 87.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.481 HG21 ' CZ ' ' A' ' 13' ' ' PHE . 86.1 t -50.6 -52.29 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.563 HD11 ' OG ' ' A' ' 54' ' ' SER . 5.7 tp -47.02 -62.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -48.72 -63.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.462 ' CD1' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -44.04 -63.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.4 -57.73 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HB1' HG23 ' A' ' 49' ' ' VAL . . . -44.97 -58.44 3.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -34.72 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.35 -31.02 71.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.705 ' CD1' HD22 ' A' ' 17' ' ' LEU . 8.3 m-85 -94.31 -6.24 44.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.08 60.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.528 HG23 ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -136.32 162.22 57.7 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.42 10.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.2 72.0 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.24 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 48.4 p -99.9 38.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.563 ' OG ' HD11 ' A' ' 40' ' ' LEU . 8.5 p -137.14 156.01 48.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.15 145.85 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 53.3 mt -103.83 143.11 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.949 HG22 ' HA2' ' A' ' 63' ' ' GLY . 5.1 pt -137.12 158.57 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.466 HG22 ' HB3' ' A' ' 77' ' ' HIS . 42.8 p -70.0 173.34 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.438 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -65.32 -13.85 59.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.51 -5.94 23.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.465 ' HA2' HD12 ' A' ' 57' ' ' ILE . . . 64.94 63.21 4.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.469 1.106 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.532 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 1.2 mm -117.98 1.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.949 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . 72.99 161.87 6.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.618 HG23 ' CD2' ' A' ' 77' ' ' HIS . 5.4 mm -109.69 164.79 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -133.26 99.63 14.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.97 51.2 2.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.43 -17.47 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.427 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -123.28 -175.43 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 33' ' ' SER . 30.1 p -71.22 147.27 48.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.36 -51.24 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.463 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.13 -23.96 19.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' THR . 13.2 m-20 -95.53 -20.11 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.446 HG13 ' CG2' ' A' ' 64' ' ' ILE . 75.2 t -86.4 -45.74 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -73.3 -14.35 61.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.5 tp -91.72 -47.47 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.7 ptmt -69.43 -39.34 77.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.618 ' CD2' HG23 ' A' ' 64' ' ' ILE . 89.7 m-70 -92.39 -51.57 5.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.638 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 130.21 174.84 13.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -93.4 -40.81 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.989 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.88 102.81 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.31 176.65 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.47 144.36 51.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.569 ' CG2' HD12 ' A' ' 17' ' ' LEU . 7.4 tt -100.4 124.35 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.7 156.74 79.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -74.98 126.57 10.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -82.13 -23.25 35.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 173.92 118.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.68 ' HD2' HG13 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -142.74 -46.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.68 HG13 ' HD2' ' A' ' 88' ' ' ARG . 20.1 m -42.37 120.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.84 -119.19 0.57 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.554 1.159 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.4 t -139.86 83.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 110.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 108.317 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -154.13 145.56 23.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 109.972 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -156.6 158.37 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.61 113.8 1.66 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.68 166.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.35 119.98 39.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.441 ' HB ' ' CE ' ' A' ' 10' ' ' LYS . 54.6 m -77.39 148.97 35.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mtm -82.07 156.36 24.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.2 p 39.98 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' CE ' ' HB ' ' A' ' 7' ' ' THR . 17.6 mttt -123.15 173.11 8.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.728 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 17.2 m -138.95 136.24 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 p -109.16 124.71 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.728 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -105.04 135.04 47.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -109.31 98.54 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.413 HG21 ' HB ' ' A' ' 83' ' ' ILE . 8.7 mt -119.96 158.28 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.5 m -135.88 124.12 23.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD11 ' OG ' ' A' ' 19' ' ' SER . 8.6 tp -62.7 128.7 37.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -106.04 90.5 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.529 ' OG ' HD11 ' A' ' 17' ' ' LEU . 5.7 p -179.15 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.92 149.23 98.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 65.04 6.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 172.05 -33.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp 64.16 77.76 0.3 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.08 42.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -124.97 154.19 41.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' NZ ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -148.86 134.65 18.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 t -91.93 115.65 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.654 HD21 ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -92.43 164.09 13.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.458 ' H ' HD23 ' A' ' 28' ' ' LEU . 24.2 p -145.62 115.31 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.536 HG22 ' CE1' ' A' ' 13' ' ' PHE . 1.5 m -144.26 161.34 45.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -75.01 123.76 8.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' PRO . 7.2 pt-20 -35.76 -46.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 69' ' ' THR . 1.4 t -42.28 -55.16 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.442 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 1.1 m -47.67 138.84 9.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.96 147.32 33.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.81 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.468 ' HE1' HD13 ' A' ' 56' ' ' ILE . 2.3 t80 -61.93 -16.38 50.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 t -65.12 -33.34 75.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.92 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.9 t -60.28 -42.57 91.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 40' ' ' LEU . 3.3 tm? -51.19 -53.11 38.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 2.8 tttt -61.37 -60.43 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.654 ' CE1' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -47.36 -63.01 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.79 -52.36 3.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -46.29 -67.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.57 -33.4 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -41.91 97.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -94.18 1.44 56.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mttp 65.46 40.33 4.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 25.9 m -119.67 157.18 52.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.5 25.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.72 39.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.53 -48.42 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 75.4 p -98.32 34.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.0 m -131.39 156.32 45.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 86' ' ' ARG . . . -162.73 157.01 21.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.468 HD13 ' HE1' ' A' ' 36' ' ' PHE . 17.2 mt -107.32 151.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.436 HG23 ' C ' ' A' ' 56' ' ' ILE . 6.1 pt -152.23 179.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.888 ' CG2' HD11 ' A' ' 64' ' ' ILE . 48.4 p -106.25 -172.03 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -89.78 15.78 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -127.19 21.37 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.5 51.36 43.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.5 mm -134.95 125.19 45.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.26 -171.23 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.888 HD11 ' CG2' ' A' ' 58' ' ' THR . 19.8 mm -134.39 145.18 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.58 100.98 44.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 51.15 2.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.7 -13.22 43.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.429 ' HG2' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -124.35 179.9 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 33' ' ' SER . 43.4 p -68.21 150.43 48.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.368 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -48.79 -48.02 41.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.559 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -59.1 -20.27 49.02 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.76 -17.68 21.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.429 HG23 ' HG2' ' A' ' 68' ' ' GLN . 30.5 t -93.81 -45.67 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.639 ' CZ ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.72 -14.14 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.516 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 4.0 tp -91.25 -58.67 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -56.65 -58.2 9.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.594 ' CG ' HD12 ' A' ' 64' ' ' ILE . 91.8 m-70 -74.67 -47.45 31.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.522 ' O ' HD11 ' A' ' 81' ' ' LEU . . . 124.5 157.89 9.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -44.78 36.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.577 ' O ' HD23 ' A' ' 81' ' ' LEU . 20.6 mt-10 -67.64 104.42 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.24 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.7 OUTLIER -144.48 166.22 25.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -116.39 146.69 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 83' ' ' ILE . 14.7 tt -100.78 113.02 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 55' ' ' ALA . 1.7 pp -109.13 156.69 38.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.99 132.88 15.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -93.7 85.59 4.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -124.43 106.44 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.1 85.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.451 ' CG1' ' HG2' ' A' ' 86' ' ' ARG . 11.5 p -174.69 58.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.0 -153.12 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.19 141.7 9.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.314 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -126.76 84.91 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 109.982 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.69 123.71 27.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.04 121.79 1.24 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.13 -61.26 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -135.27 95.5 3.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.6 m -150.63 86.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 mtt -93.13 113.24 25.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.92 94.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -131.5 165.12 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.621 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 27.5 m -138.47 131.06 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 p -96.49 129.48 43.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CE2' HG22 ' A' ' 30' ' ' VAL . 8.8 m-85 -103.17 111.02 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.79 95.47 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 mt -126.74 156.83 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.581 HG22 ' HG ' ' A' ' 23' ' ' LEU . 32.5 m -130.13 132.67 46.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -51.26 98.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 m -82.76 76.13 9.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.2 p -171.0 -54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.32 165.57 43.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -46.59 -42.47 16.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HG ' HG22 ' A' ' 16' ' ' THR . 0.8 OUTLIER 58.41 64.56 3.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 16' ' ' THR . 18.4 Cg_endo -75.01 154.88 42.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -119.03 152.61 36.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 129.19 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 m -94.9 125.41 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.778 HD23 HG13 ' A' ' 39' ' ' VAL . 55.8 tp -102.28 128.96 48.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -101.95 119.71 39.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.604 HG22 ' CE2' ' A' ' 13' ' ' PHE . 2.0 m -141.03 160.26 58.77 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.57 14.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HG2' HG13 ' A' ' 11' ' ' VAL . 32.5 mt-10 -42.07 -55.96 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLU . 13.4 p -37.65 -56.23 1.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.626 HG23 ' HD2' ' A' ' 35' ' ' PRO . 17.7 m -50.32 144.69 11.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.97 161.56 38.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.455 ' CE2' ' CD1' ' A' ' 13' ' ' PHE . 3.7 t80 -79.27 -14.31 59.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 t -66.56 -30.6 70.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.44 -29.45 62.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.778 HG13 HD23 ' A' ' 28' ' ' LEU . 81.6 t -60.5 -42.07 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER -52.07 -64.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -44.94 -61.36 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -47.46 -60.64 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.42 -56.84 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -44.61 -69.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.81 -46.74 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -44.95 61.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.72 ' O ' HG13 ' A' ' 49' ' ' VAL . 31.7 m-85 -87.86 17.49 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptt 48.1 55.84 8.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 47' ' ' PHE . 16.3 m -132.37 157.39 78.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.25 15.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.555 1.818 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.79 50.38 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.17 -50.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.0 p -96.89 46.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 m -138.67 158.02 45.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 110.058 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.473 ' HA ' HD11 ' A' ' 40' ' ' LEU . . . -163.15 159.89 23.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.713 HG22 HD12 ' A' ' 64' ' ' ILE . 89.8 mt -121.34 136.25 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.1 pt -133.24 173.95 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.5 p -94.61 -169.37 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.8 -20.18 59.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.14 14.67 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 45.83 57.61 5.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.57 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -98.14 5.0 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 0.742 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 62' ' ' ILE . . . 58.63 118.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.17 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.713 HD12 HG22 ' A' ' 56' ' ' ILE . 27.7 mt -74.1 143.9 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.774 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.69 107.2 44.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.29 2.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.29 -24.14 26.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -117.84 -176.03 2.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' ASN . 47.7 p -71.86 149.04 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.2 -50.65 15.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.7 -24.79 26.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' THR . 2.1 m-20 -96.21 -19.73 19.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.783 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 69' ' ' THR . 73.4 t -85.52 -46.57 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.621 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.43 -13.77 61.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.5 tp -91.29 -48.8 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.481 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -66.34 -44.42 83.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.672 ' CD2' HG23 ' A' ' 64' ' ' ILE . 95.0 m-70 -87.02 -50.41 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.59 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 129.3 -176.26 18.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.6 p -97.86 -28.66 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.672 ' O ' HD23 ' A' ' 81' ' ' LEU . 15.9 mt-10 -89.52 107.96 19.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 80' ' ' GLU . 1.3 mt -142.94 179.21 7.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -128.19 148.6 50.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 83' ' ' ILE . 8.6 tt -113.04 106.63 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 85' ' ' PRO . 1.7 pp -106.96 155.27 39.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.526 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.0 140.27 25.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -93.59 97.9 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.25 94.63 9.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -95.76 -61.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.52 140.37 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.92 88.02 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.443 1.09 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.0 p -95.54 154.09 17.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.49 127.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 109.96 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.72 127.05 31.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.26 121.81 5.75 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.83 168.73 13.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 0.734 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.58 84.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 t -59.56 151.66 23.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.2 ttp -172.26 104.36 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m 43.25 78.68 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.976 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -125.93 173.26 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.6 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 33.5 m -135.22 153.57 34.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.5 p -118.91 128.88 54.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.789 ' CE2' HG22 ' A' ' 30' ' ' VAL . 8.3 m-85 -106.81 125.52 51.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.72 95.46 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -111.91 143.7 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.439 ' CG2' HD12 ' A' ' 23' ' ' LEU . 1.2 m -121.92 108.86 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.487 HD13 ' CD2' ' A' ' 47' ' ' PHE . 9.9 tp -50.83 122.82 7.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -124.6 58.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -137.75 -57.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -69.67 173.89 3.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.0 55.76 4.05 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.796 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -173.91 168.16 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.356 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.796 HD22 ' O ' ' A' ' 22' ' ' ARG . 4.1 mm? -130.49 69.33 82.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.01 6.5 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -131.16 154.42 48.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.77 149.27 51.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.5 t -137.65 95.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.738 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -93.24 137.88 32.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.32 108.29 14.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.789 HG22 ' CE2' ' A' ' 13' ' ' PHE . 10.7 m -136.99 158.21 73.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -74.99 139.05 23.84 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' SER . 27.4 mt-10 -38.8 -57.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 69' ' ' THR . 0.2 OUTLIER -37.21 -64.15 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.616 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.7 m -38.65 142.92 0.48 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.0 157.1 42.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.42 -11.35 59.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.7 t -68.87 -36.17 77.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.41 -31.28 71.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.3 t -58.62 -54.16 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.838 HD21 ' HB2' ' A' ' 54' ' ' SER . 1.9 tt -46.61 -62.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 10.1 mtmt -49.64 -62.73 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.738 ' CD1' HD21 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -43.79 -52.59 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.54 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . . . -61.81 -36.37 80.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.506 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -63.6 -66.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -46.48 -35.07 5.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.96 -37.79 75.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.523 ' O ' HG13 ' A' ' 49' ' ' VAL . 2.2 m-85 -90.71 22.34 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER 40.51 56.03 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 47' ' ' PHE . 2.5 m -131.15 160.35 67.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.46 ' HB1' ' HG2' ' A' ' 41' ' ' LYS . . . -86.35 54.92 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.5 -54.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.58 55.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.838 ' HB2' HD21 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -139.77 154.88 47.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.525 ' HA ' HD11 ' A' ' 40' ' ' LEU . . . -162.71 139.46 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.62 HD12 HD12 ' A' ' 40' ' ' LEU . 15.9 mt -95.03 136.52 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.583 HG22 ' HA2' ' A' ' 63' ' ' GLY . 3.8 pt -131.04 162.39 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 p -92.62 157.32 16.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.7 m-20 -65.86 84.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 22.9 t0 175.72 -34.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.51 51.13 0.59 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.5 mm -140.5 140.84 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.225 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.583 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -78.14 -178.03 48.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.862 HG23 ' CE1' ' A' ' 77' ' ' HIS . 13.0 mt -127.06 141.99 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -110.66 101.67 49.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 51.5 2.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.5 -16.7 28.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -117.87 -169.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 33' ' ' SER . 21.0 p -77.12 145.96 37.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.34 -47.41 25.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.56 -24.27 46.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' CB ' ' HG3' ' A' ' 68' ' ' GLN . 69.9 m-20 -94.96 -14.95 23.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 53.2 t -92.35 -47.32 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.48 -13.38 62.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.4 tp -91.2 -51.27 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' HE2' ' CE1' ' A' ' 77' ' ' HIS . 13.2 ptmt -67.75 -45.62 74.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.862 ' CE1' HG23 ' A' ' 64' ' ' ILE . 72.9 m80 -83.04 -46.06 13.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 122.53 175.48 14.72 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.9 p -92.67 -44.16 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 81' ' ' LEU . 4.3 mt-10 -76.53 107.23 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.6 OUTLIER -142.5 179.99 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -131.51 145.14 51.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.4 tt -97.3 117.72 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.56 158.02 57.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 151.28 39.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -71.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -178.21 146.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.523 ' O ' ' C ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 70.42 81.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.349 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 89' ' ' VAL . 10.0 p 31.03 67.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.28 71.48 1.5 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.7 97.86 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.99 130.08 49.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.743 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.83 157.41 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.6 148.87 19.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.9 166.07 33.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -144.43 68.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -149.5 141.13 23.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.98 104.89 8.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.98 93.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.45 165.03 13.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.578 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 27.5 m -137.88 139.6 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 p -107.87 132.88 52.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CD2' HG21 ' A' ' 39' ' ' VAL . 2.2 m-85 -107.56 120.56 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -93.87 99.92 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -113.65 143.97 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 18' ' ' THR . 1.2 t -129.77 121.53 27.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.36 105.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 16' ' ' THR . 68.2 p -89.64 63.78 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.3 p -178.77 61.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t70 179.99 143.0 0.36 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 58.94 5.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -164.19 -44.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 1.7 mm? 67.4 64.34 0.71 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.0 129.45 12.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -118.81 152.16 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 139.61 13.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.0 m -101.49 134.69 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.693 HD23 HG23 ' A' ' 39' ' ' VAL . 30.8 tp -116.2 113.52 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -91.37 125.52 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.505 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.9 m -147.29 158.99 43.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 124.41 8.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 11' ' ' VAL . 44.1 mt-10 -39.77 -47.83 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLU . 2.7 p -39.15 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.596 HG23 ' HD2' ' A' ' 35' ' ' PRO . 19.1 m -80.01 144.76 59.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.03 153.39 41.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.793 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.6 t80 -78.0 -10.05 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.83 -31.77 73.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -73.72 -65.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.693 HG23 HD23 ' A' ' 28' ' ' LEU . 2.0 p -34.41 -48.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.561 HD13 HG13 ' A' ' 56' ' ' ILE . 2.5 tp -44.81 -60.8 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 12.8 mttm -61.79 -58.79 6.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -39.19 -57.65 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.93 -50.8 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -44.81 -54.05 6.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.14 -33.03 68.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -14.92 61.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.413 ' O ' HG13 ' A' ' 49' ' ' VAL . 1.7 m-85 -110.71 3.8 19.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mttt 62.18 27.99 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 32.2 m -110.93 157.33 38.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 134.63 18.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.42 ' HB1' ' HG2' ' A' ' 41' ' ' LYS . . . -83.3 52.23 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.95 -50.37 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.5 p -94.97 41.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -133.44 158.2 43.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.24 130.67 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 HD13 ' A' ' 40' ' ' LEU . 93.4 mt -98.05 130.65 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.861 HD12 ' HA2' ' A' ' 61' ' ' GLY . 6.3 pt -134.29 163.52 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.9 p -84.49 163.56 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -53.27 -32.79 50.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -65.27 -16.65 63.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.861 ' HA2' HD12 ' A' ' 57' ' ' ILE . . . 86.39 48.99 4.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 mm -134.76 137.36 51.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.795 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -57.85 -164.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.503 HG23 ' CD2' ' A' ' 77' ' ' HIS . 5.3 mm -131.28 167.63 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.443 ' N ' HG22 ' A' ' 64' ' ' ILE . 5.3 m120 -137.31 104.85 8.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 51.11 2.68 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.73 -15.73 29.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.457 ' HG2' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -128.73 -176.15 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ASN . 61.4 p -70.07 149.31 47.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -47.86 -46.91 31.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.509 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -58.98 -22.93 56.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.4 m120 -94.8 -14.81 24.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.737 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.457 HG23 ' HG2' ' A' ' 68' ' ' GLN . 40.9 t -94.1 -47.66 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -68.52 -14.19 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.3 tp -91.23 -58.14 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -58.48 -44.93 89.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.503 ' CD2' HG23 ' A' ' 64' ' ' ILE . 92.5 m-70 -84.4 -46.09 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.568 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 119.6 164.59 12.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.4 p -81.69 -38.33 25.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.487 ' O ' HD23 ' A' ' 81' ' ' LEU . 45.6 mt-10 -75.57 105.96 6.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.6 OUTLIER -140.5 167.35 22.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HB3' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -130.0 143.51 50.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 83' ' ' ILE . 11.6 tt -97.67 117.72 42.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -107.48 156.54 37.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.75 5.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -61.58 -50.17 73.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.3 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -55.59 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.0 p -114.35 155.75 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.26 165.36 2.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.2 m -131.8 122.26 25.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m -89.64 170.27 10.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.74 -59.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.32 -175.87 25.18 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -178.05 -60.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.29 170.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.1 m -93.1 83.07 4.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.25 85.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 178.16 117.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -134.81 165.08 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.567 ' HB ' ' CD2' ' A' ' 74' ' ' PHE . 28.6 m -135.59 137.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.561 ' HB2' HG13 ' A' ' 27' ' ' VAL . 2.5 p -113.93 137.6 51.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.04 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.692 ' CE1' ' CE2' ' A' ' 36' ' ' PHE . 14.6 m-85 -105.97 110.62 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HE2' HG22 ' A' ' 27' ' ' VAL . 1.1 ttmm -89.91 95.54 10.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.77 HD12 ' NZ ' ' A' ' 26' ' ' LYS . 17.1 mt -113.24 149.0 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.463 HG21 ' HB3' ' A' ' 23' ' ' LEU . 43.6 m -135.03 125.39 26.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.447 HD12 ' H ' ' A' ' 18' ' ' THR . 48.7 tp -52.51 144.6 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.447 ' H ' HD12 ' A' ' 17' ' ' LEU . 46.7 p -127.78 101.5 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' THR . 4.0 p 163.93 -49.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 110.01 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.32 171.35 6.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.02 -169.47 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' PRO . 27.6 mtp180 37.31 58.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' HB3' HG21 ' A' ' 16' ' ' THR . 4.8 mp -37.29 98.07 0.15 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.99 139.67 24.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -117.64 153.13 33.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.77 ' NZ ' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -142.06 154.5 44.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.561 HG13 ' HB2' ' A' ' 12' ' ' SER . 41.7 t -127.79 99.12 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' CD1' ' HG3' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -91.42 113.38 25.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.484 ' O ' HG13 ' A' ' 30' ' ' VAL . 58.7 p -94.55 132.55 39.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 29' ' ' SER . 35.2 m -156.52 157.78 31.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 122.26 7.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -38.29 -46.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 p -40.48 -38.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.697 HG23 ' HD2' ' A' ' 35' ' ' PRO . 3.0 m -70.57 145.65 92.9 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 110.455 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.697 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.02 160.57 39.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CE2' ' CE1' ' A' ' 13' ' ' PHE . 2.4 t80 -87.71 -10.87 49.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -34.93 77.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -70.21 -66.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.68 HG21 ' CD2' ' A' ' 13' ' ' PHE . 2.2 p -35.93 -42.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.011 HD22 HD12 ' A' ' 56' ' ' ILE . 1.9 tm? -40.46 -53.77 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ALA . 6.0 mttt -69.87 -58.14 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' ALA . 1.2 t80 -41.27 -53.73 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -40.05 -53.22 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.455 ' CA ' HG23 ' A' ' 49' ' ' VAL . . . -45.25 -51.19 11.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -32.61 69.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -66.99 -19.17 65.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 17' ' ' LEU . 10.9 m-85 -112.89 -0.61 14.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mttt 65.72 49.89 1.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.455 HG23 ' CA ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -128.74 161.42 57.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.69 28.09 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.47 54.26 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.77 -52.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 55.4 p -91.23 40.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -138.02 147.03 43.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.623 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . . . -159.95 135.71 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.011 HD12 HD22 ' A' ' 40' ' ' LEU . 51.1 mt -103.64 134.54 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.912 HG22 ' HA2' ' A' ' 63' ' ' GLY . 4.2 pt -136.68 177.16 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.596 HG22 ' HB3' ' A' ' 77' ' ' HIS . 72.3 p -97.72 -178.57 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.8 OUTLIER -80.39 88.85 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 3.4 m-20 159.0 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.34 -30.41 4.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.96 140.4 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.912 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -81.19 -157.21 16.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.582 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 7.7 mm -127.57 149.57 32.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 0.746 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.448 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 8.1 m120 -124.88 103.86 30.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.7 2.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.14 -15.47 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.46 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.7 pm0 -127.22 177.21 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 72' ' ' ASN . 24.9 p -66.28 152.82 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.5 -53.55 11.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.514 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -54.91 -21.89 25.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.1 m-20 -94.79 -18.73 20.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 0.736 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 61.2 t -90.92 -46.68 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.89 -14.48 62.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.533 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.4 tp -91.45 -53.32 4.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.464 ' CG ' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -63.55 -42.22 98.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.596 ' HB3' HG22 ' A' ' 58' ' ' THR . 89.8 m-70 -86.75 -48.29 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.634 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.32 161.22 10.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 p -79.83 -51.97 8.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.18 101.9 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.45 170.26 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -122.07 139.91 53.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 2.1 tt -96.22 116.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.04 155.58 41.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.93 114.1 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.623 ' HD2' ' HB2' ' A' ' 55' ' ' ALA . 1.9 tpt180 -66.24 143.9 56.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.32 95.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.1 mtt-85 -45.15 -52.54 9.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.4 p -171.28 141.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 165.82 161.34 14.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.3 p -66.37 120.83 14.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 110.021 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -106.53 163.93 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 41.48 88.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.11 142.98 11.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.37 161.72 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.23 63.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -123.03 121.53 36.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.456 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.21 84.8 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -130.58 88.45 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.011 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.31 171.16 12.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.631 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 26.9 m -147.97 140.51 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 p -112.99 124.88 53.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.526 ' CE2' HG22 ' A' ' 30' ' ' VAL . 3.2 m-85 -96.37 117.04 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 95.87 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 81' ' ' LEU . 2.7 mt -110.86 154.6 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 18' ' ' THR . 3.1 m -133.85 112.77 11.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.95 135.61 57.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 16' ' ' THR . 69.6 p -122.44 100.55 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 p 178.36 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -94.08 149.56 37.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 55.53 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -152.33 -45.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 3.3 mp 67.38 64.3 0.71 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.0 146.72 32.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -124.83 149.78 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 0.9 OUTLIER -153.12 133.78 13.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -98.53 126.16 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -101.48 123.04 44.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.41 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 52.3 p -97.64 124.9 42.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.526 HG22 ' CE2' ' A' ' 13' ' ' PHE . 3.3 m -152.1 158.9 33.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.44 17.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' SER . 27.8 mt-10 -40.28 -56.54 1.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -36.06 -63.76 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.559 HG23 ' HD2' ' A' ' 35' ' ' PRO . 1.9 m -39.25 141.57 0.65 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.94 158.44 42.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.545 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.6 t80 -84.47 -11.23 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 4.6 t -62.06 -34.16 75.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -71.29 -66.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 36' ' ' PHE . 2.1 p -35.69 -46.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 1.4 tp -42.89 -62.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.724 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . 5.1 mtpp -61.69 -55.84 26.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.602 ' CD1' HD11 ' A' ' 28' ' ' LEU . 1.3 t80 -41.75 -54.9 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -40.43 -61.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . . . -40.82 -63.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -45.34 -37.79 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -67.59 -37.15 82.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 26' ' ' LYS . 31.4 m-85 -90.79 2.69 55.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.597 ' O ' HG13 ' A' ' 49' ' ' VAL . 0.7 OUTLIER 62.8 69.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -158.5 162.59 26.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.93 6.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.724 ' HB1' ' HA ' ' A' ' 41' ' ' LYS . . . -79.31 -38.11 36.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.9 -40.93 23.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.5 p -105.8 44.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.0 p -125.69 163.24 23.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.62 137.74 11.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 40' ' ' LEU . 97.4 mt -114.46 121.28 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.537 HG22 ' HA2' ' A' ' 63' ' ' GLY . 5.0 pt -117.19 170.22 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -86.47 -169.37 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -93.24 31.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.69 31.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 49.49 49.35 33.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.0 mm -132.66 135.82 56.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.537 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -70.05 -174.88 14.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.589 HG23 ' NE2' ' A' ' 77' ' ' HIS . 61.7 mt -131.93 149.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.4 112.81 23.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.451 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 51.48 2.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.771 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.56 -23.83 39.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -124.08 172.06 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 33' ' ' SER . 42.7 p -55.97 151.46 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.86 -44.01 49.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.64 -24.88 54.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.45 -16.47 22.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -89.88 -46.27 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.03 -13.51 61.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.6 tp -91.46 -52.7 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.505 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -64.45 -41.43 96.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.589 ' NE2' HG23 ' A' ' 64' ' ' ILE . 90.8 m-70 -88.42 -48.25 7.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 109.621 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.62 171.9 13.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 p -94.49 -3.3 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.554 ' O ' HD23 ' A' ' 81' ' ' LEU . 41.1 mt-10 -109.24 103.88 12.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -140.33 166.28 25.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -123.38 142.43 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 83' ' ' ILE . 2.8 tt -96.1 109.8 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pp -106.55 156.73 36.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 88' ' ' ARG . 18.3 Cg_endo -75.04 127.95 11.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -77.11 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -158.81 110.99 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 85' ' ' PRO . 5.4 mtt85 -120.25 57.25 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 89' ' ' VAL . 35.1 m -94.25 114.72 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.72 -126.7 3.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.7 t -82.14 121.73 26.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.055 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 108.315 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 51.64 93.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 0.0 109.991 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.41 113.92 27.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.25 118.94 0.22 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 97.55 3.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.59 78.11 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.9 m -62.31 142.76 57.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -142.75 -52.7 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 p -154.66 91.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -120.94 168.7 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.438 HG11 ' HA2' ' A' ' 71' ' ' GLY . 17.4 m -137.18 122.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 t -98.24 138.49 35.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.643 ' HE1' HG22 ' A' ' 30' ' ' VAL . 6.4 m-85 -113.08 147.06 38.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.19 95.64 4.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 mt -114.11 148.87 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 18' ' ' THR . 17.8 m -125.66 120.84 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.5 tp -56.34 133.19 52.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 16' ' ' THR . 14.1 p -133.71 92.04 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -178.37 -38.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.6 172.5 6.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.94 55.57 3.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.662 ' O ' HD12 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -173.58 -174.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -156.99 64.4 3.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.03 124.35 8.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.539 1.81 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -74.01 155.03 39.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -131.26 145.84 52.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.68 97.93 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.768 HD11 ' HB3' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -91.47 163.02 14.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.29 116.21 9.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.643 HG22 ' HE1' ' A' ' 13' ' ' PHE . 4.7 m -145.87 158.38 49.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.97 128.76 11.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' PRO . 8.3 pt-20 -36.07 -45.33 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.417 ' O ' ' HB ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -50.27 -52.65 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.033 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.699 HG23 ' HD2' ' A' ' 35' ' ' PRO . 3.5 m -48.35 145.78 5.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.699 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.98 150.62 38.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.593 1.839 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.479 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 3.8 t80 -71.04 -25.15 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 t -55.89 -32.85 64.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.11 75.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.592 HG21 ' CZ ' ' A' ' 13' ' ' PHE . 97.5 t -53.08 -38.19 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.426 ' HB2' HD12 ' A' ' 56' ' ' ILE . 11.1 tp -62.33 -63.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -47.09 -48.61 22.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.768 ' HB3' HD11 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -61.29 -60.31 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -43.73 -49.93 7.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.429 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -48.36 -66.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.0 -38.12 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -47.76 80.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 26' ' ' LYS . 8.8 m-85 -84.0 10.83 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.22 60.34 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 1.6 m -134.85 160.81 67.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 135.7 19.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.77 55.35 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.61 -54.63 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.0 p -91.81 32.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -132.33 156.42 46.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.21 152.48 14.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.426 HD12 ' HB2' ' A' ' 40' ' ' LEU . 50.2 mt -110.14 133.47 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.733 HG22 ' HA2' ' A' ' 63' ' ' GLY . 15.7 pt -141.63 160.4 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 1.085 HG22 HD22 ' A' ' 81' ' ' LEU . 20.7 p -91.0 141.53 28.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.415 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 61' ' ' GLY . 7.1 m120 46.93 27.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.609 ' C ' HD12 ' A' ' 57' ' ' ILE . 0.7 OUTLIER 54.57 16.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 59' ' ' ASN . . . -118.34 -87.16 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.82 140.63 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.733 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -86.05 -160.32 33.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.701 HG23 ' CE1' ' A' ' 77' ' ' HIS . 21.4 mt -142.1 144.97 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.62 107.89 42.1 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 52.03 2.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.56 -16.43 34.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.457 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.1 pm0 -127.38 -175.61 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' ASN . 26.1 p -69.56 148.81 48.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.19 -55.68 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.32 -21.15 11.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' THR . 8.1 m-20 -95.5 -19.73 19.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 72.7 t -88.92 -46.61 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.493 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -69.91 -10.87 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tp -92.16 -40.83 10.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.581 ' HD2' ' CE1' ' A' ' 77' ' ' HIS . 0.7 OUTLIER -82.08 -28.18 32.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.701 ' CE1' HG23 ' A' ' 64' ' ' ILE . 72.9 m80 -99.95 -40.38 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 112.35 176.91 19.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.24 -16.1 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -94.85 102.68 14.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.085 HD22 HG22 ' A' ' 58' ' ' THR . 0.5 OUTLIER -141.43 175.42 9.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.8 151.83 51.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.6 tt -98.06 133.78 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.404 HD11 ' HE ' ' A' ' 86' ' ' ARG . 1.4 pp -133.1 156.81 79.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.94 5.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.404 ' HE ' HD11 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -154.2 120.52 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -123.21 110.71 15.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.44 60.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 m -97.75 131.69 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -121.15 -173.57 14.7 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.4 t -151.31 116.23 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 0.793 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -86.11 83.29 7.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.84 145.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.41 96.13 1.39 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.86 168.82 14.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.57 162.97 29.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -152.19 -46.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.08 133.51 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.56 115.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -127.52 166.21 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.56 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 30.2 m -141.47 129.24 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.83 122.42 46.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.599 ' CE2' HG22 ' A' ' 30' ' ' VAL . 1.9 m-85 -98.81 118.24 35.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.47 103.14 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.75 156.66 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 24' ' ' PRO . 3.2 m -138.66 127.0 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.439 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.534 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 8.8 tp -63.82 147.84 50.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -129.12 20.29 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.7 p -107.3 -36.13 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.75 145.39 36.81 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.79 3.76 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -150.79 -45.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 4.8 mp 65.81 63.89 0.96 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.598 ' O ' HG23 ' A' ' 16' ' ' THR . 18.1 Cg_endo -75.07 175.52 11.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -131.62 152.77 50.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -160.53 130.4 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.6 m -102.22 127.26 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD13 HG23 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -101.96 116.77 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.435 ' C ' HG13 ' A' ' 30' ' ' VAL . 18.9 p -94.9 122.52 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.599 HG22 ' CE2' ' A' ' 13' ' ' PHE . 5.3 m -152.85 158.21 33.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.98 123.71 8.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -38.44 -46.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 p -40.0 -37.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.959 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.698 HG23 ' HD2' ' A' ' 35' ' ' PRO . 4.0 m -70.43 145.85 93.46 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.698 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -75.02 157.03 42.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.551 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.5 t80 -82.0 -12.16 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.445 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.2 t -61.34 -33.86 74.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -71.74 -67.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 36' ' ' PHE . 2.1 p -35.93 -45.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.676 ' HA ' HD12 ' A' ' 56' ' ' ILE . 5.8 tt -45.26 -66.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -58.72 -54.01 51.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -43.61 -46.84 7.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.5 37.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HA ' HG23 ' A' ' 49' ' ' VAL . . . -47.93 -59.66 3.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -51.69 -35.17 41.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -30.37 71.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 17' ' ' LEU . 10.9 m-85 -95.25 -5.6 43.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 75.39 49.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.438 HG23 ' HA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -136.58 164.65 41.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 138.35 23.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.64 50.32 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.42 -50.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 68.5 p -96.97 44.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.9 m -135.32 153.41 51.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.26 131.85 8.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 40' ' ' LEU . 92.3 mt -102.48 121.74 53.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.78 HG22 ' HA2' ' A' ' 63' ' ' GLY . 7.1 pt -120.93 169.39 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.414 ' CG2' ' HD2' ' A' ' 77' ' ' HIS . 9.4 p -85.5 -167.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -92.05 19.41 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -131.23 35.29 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 40.48 57.71 2.66 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.8 mm -139.44 137.23 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.78 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -68.97 -170.47 6.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.806 HG23 ' CE1' ' A' ' 77' ' ' HIS . 17.7 mt -132.3 144.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -120.77 112.18 33.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.445 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.98 51.74 2.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.35 -15.58 42.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HG2' HG23 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -130.53 -174.55 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 p -72.9 154.55 40.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.16 -54.29 17.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.499 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.97 -21.56 17.41 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.38 -19.32 20.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 0.807 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' ' 68' ' ' GLN . 17.8 t -89.31 -46.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.499 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -70.32 -10.69 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.7 -44.47 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -77.95 -30.27 50.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.806 ' CE1' HG23 ' A' ' 64' ' ' ILE . 77.1 m80 -96.65 -41.54 8.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 117.25 175.81 17.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.0 p -92.98 -36.81 12.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 110.061 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -84.71 107.94 17.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.49 166.64 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -121.79 137.59 54.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 83' ' ' ILE . 4.2 tt -97.35 113.73 32.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -113.44 154.62 45.42 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.03 119.24 5.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.4 142.31 28.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -157.39 104.32 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.87 49.95 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.4 t -122.72 96.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.56 -100.62 0.25 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.108 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 t -81.88 100.64 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.284 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m 49.69 87.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 109.972 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -128.68 140.15 51.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.36 162.7 33.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.03 121.92 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -155.29 99.91 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 m -94.53 -61.59 1.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.87 87.15 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 p -177.88 95.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -132.37 168.17 18.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.651 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 30.3 m -131.52 127.21 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -99.95 128.02 46.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.651 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 6.9 m-85 -104.26 110.16 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -92.37 95.41 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -108.46 125.8 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.81 ' CG2' HD23 ' A' ' 23' ' ' LEU . 5.1 m -110.88 111.18 22.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.84 142.09 46.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p -117.95 62.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.69 -45.45 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.616 ' O ' HD12 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -100.39 166.94 11.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.21 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -23.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.81 HD23 ' CG2' ' A' ' 16' ' ' THR . 0.3 OUTLIER 49.46 79.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 112.4 3.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -85.88 148.71 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 1.2 tmtm? -124.79 142.45 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -139.54 99.87 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -98.1 145.96 26.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -115.49 112.83 22.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.627 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.3 m -136.1 160.71 66.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.03 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.52 -40.28 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.6 p -54.27 -46.36 72.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.639 HG23 ' HD2' ' A' ' 35' ' ' PRO . 13.6 m -54.27 145.17 37.44 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.0 159.23 41.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.5 t80 -85.03 -9.89 57.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.446 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 2.4 t -65.28 -33.35 75.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -72.38 -65.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 36' ' ' PHE . 2.0 p -34.12 -46.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.27 -68.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 16.4 mttm -47.93 -55.95 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -41.79 -61.39 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -45.0 -59.43 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.607 ' HB1' HG23 ' A' ' 49' ' ' VAL . . . -40.02 -65.9 0.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.4 -50.49 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.97 -48.69 72.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 23.4 m-85 -69.76 -5.71 27.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.68 59.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.607 HG23 ' HB1' ' A' ' 44' ' ' ALA . 35.7 m -136.29 157.56 75.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.27 33.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.41 54.8 2.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.04 -48.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 40.5 p -93.28 43.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 p -136.68 143.26 43.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 86' ' ' ARG . . . -163.16 119.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.1 mt -90.0 118.82 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.569 HG22 ' HA2' ' A' ' 63' ' ' GLY . 27.1 pt -120.1 135.38 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.579 ' HB ' HD22 ' A' ' 81' ' ' LEU . 1.1 t -87.23 170.73 11.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' N ' ' OG1' ' A' ' 58' ' ' THR . 68.1 m-20 -61.43 88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.23 -30.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 50.33 1.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.645 HG22 ' H ' ' A' ' 64' ' ' ILE . 70.9 mt -128.38 117.49 45.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -58.73 -13.95 20.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.744 HG23 ' CD2' ' A' ' 77' ' ' HIS . 9.7 mt 76.23 141.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -118.57 119.43 32.78 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.446 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 51.87 2.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.29 -24.94 31.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -121.39 -174.5 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' ASN . 30.2 p -73.66 151.32 40.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.97 -52.75 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.517 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -55.98 -21.92 32.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' THR . 17.2 m-20 -95.2 -17.32 21.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 77.1 t -92.1 -46.69 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.517 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -69.47 -10.93 60.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.963 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.8 -48.55 6.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.3 ptpt -72.59 -29.05 63.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.744 ' CD2' HG23 ' A' ' 64' ' ' ILE . 94.4 m-70 -99.55 -50.62 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.593 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 126.47 173.22 13.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.1 p -88.57 -37.54 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.783 . . . . 0.0 110.007 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.931 ' O ' HD23 ' A' ' 81' ' ' LEU . 25.4 mt-10 -85.83 120.0 26.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.931 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -147.86 169.39 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.93 134.26 55.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 83' ' ' ILE . 6.2 tt -95.61 113.66 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -108.1 156.46 38.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.98 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.655 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 4.0 tpt180 -74.68 153.02 39.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -107.03 88.2 2.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.76 -54.23 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.67 169.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.36 71.16 0.24 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -75.78 78.8 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.275 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.38 -58.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 48.6 90.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.39 -152.47 5.74 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.57 101.04 13.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.9 -58.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.6 m 42.8 83.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.412 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.32 -56.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m -152.77 101.18 2.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.59 165.38 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.551 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 3.8 m -136.07 133.43 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 p -100.71 134.25 43.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 8.2 m-85 -114.89 131.84 56.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 95.44 5.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -112.25 147.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 m -131.33 125.44 32.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -61.27 109.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.45 HG21 ' HB3' ' A' ' 82' ' ' ARG . 13.5 p -94.37 75.92 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.0 p -155.25 -66.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.955 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.07 149.84 87.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 74.12 4.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -160.14 -43.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 66.72 66.02 0.72 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.72 6.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -82.79 153.77 25.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.93 145.44 48.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.7 t -133.33 95.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.59 HD11 ' CE1' ' A' ' 42' ' ' PHE . 14.6 tp -97.69 144.24 27.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.07 120.14 32.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 110.04 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG22 ' HE1' ' A' ' 13' ' ' PHE . 3.0 m -146.91 158.95 44.57 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.71 8.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 34' ' ' THR . 14.6 pt-20 -39.24 -45.46 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.9 p -39.12 -30.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.5 HG23 ' HD2' ' A' ' 35' ' ' PRO . 53.7 m -81.38 144.02 52.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.93 160.21 40.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.28 -36.82 58.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 t -43.89 -35.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.424 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.12 -47.09 63.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.0 t -41.36 -43.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD13 ' C ' ' A' ' 40' ' ' LEU . 2.3 tm? -46.18 -70.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.713 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 36.2 mttt -42.12 -61.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -47.29 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.97 -26.38 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -73.65 -69.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.88 -34.73 9.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.31 -37.26 84.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.495 ' HB3' HG13 ' A' ' 49' ' ' VAL . 3.4 m-85 -91.74 4.59 52.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 66.21 21.93 11.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.495 HG13 ' HB3' ' A' ' 47' ' ' PHE . 15.7 m -101.87 157.36 33.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.19 24.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.416 1.745 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.33 41.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.81 -52.67 1.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.6 p -104.03 45.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -138.55 134.88 34.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.23 163.9 31.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.729 HG22 HD12 ' A' ' 64' ' ' ILE . 8.1 mt -114.59 126.88 72.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.5 pt -119.97 157.52 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' GLY . 5.9 t -112.92 170.04 8.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.417 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 12.9 m120 -39.54 136.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 0.4 OUTLIER 76.85 9.18 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' THR . . . 40.34 48.64 3.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -87.87 13.3 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.47 171.95 2.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.849 HG23 ' CG ' ' A' ' 77' ' ' HIS . 26.6 mt -131.77 140.78 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -114.89 106.48 51.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.57 2.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.93 -10.97 56.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.491 ' HG2' HG22 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -130.11 170.4 14.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 72' ' ' ASN . 43.9 p -56.68 149.53 17.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -47.0 -49.33 21.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.443 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -56.71 -23.71 45.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' THR . 2.4 m-20 -95.94 -17.34 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.491 HG22 ' HG2' ' A' ' 68' ' ' GLN . 71.7 t -89.77 -47.07 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.491 ' CZ ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.11 -12.93 62.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -91.28 -62.04 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -56.62 18.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.849 ' CG ' HG23 ' A' ' 64' ' ' ILE . 76.2 m80 -71.02 -46.21 62.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.508 ' O ' HD21 ' A' ' 81' ' ' LEU . . . 122.24 147.87 7.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 t -69.77 -44.24 70.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -77.06 102.66 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.508 HD21 ' O ' ' A' ' 78' ' ' GLY . 0.3 OUTLIER -132.84 175.55 9.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' HB3' HG21 ' A' ' 18' ' ' THR . 1.0 OUTLIER -124.62 137.66 54.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.439 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 6.1 tt -96.21 114.31 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.67 154.26 44.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.25 7.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -80.8 146.77 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.47 81.57 1.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -138.3 35.36 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.1 t -93.9 -73.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.39 -125.13 7.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.96 -63.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -123.84 171.11 9.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.478 HG11 ' HA2' ' A' ' 71' ' ' GLY . 5.2 m -145.55 120.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.4 p -96.28 149.62 21.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 36' ' ' PHE . 2.3 m-85 -125.45 149.2 48.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.33 96.4 4.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.19 136.68 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 24' ' ' PRO . 12.9 m -116.26 137.26 52.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.762 HD13 ' CD2' ' A' ' 47' ' ' PHE . 8.0 tp -72.54 109.74 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.8 p -90.18 37.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.8 p -113.84 -35.05 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.67 154.87 37.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.43 9.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 mtm105 -95.96 -23.88 16.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.341 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.18 69.25 2.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' A' ' 16' ' ' THR . 18.2 Cg_endo -75.03 148.28 34.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -125.07 161.54 26.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.21 129.2 8.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 t -91.61 116.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 29' ' ' SER . 25.9 tp -97.66 159.03 15.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.431 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 92.8 p -141.45 117.98 10.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG22 ' HE1' ' A' ' 13' ' ' PHE . 1.3 m -150.79 160.85 31.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.97 121.32 6.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' PRO . 7.7 pt-20 -37.22 -46.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' GLU . 8.9 t -38.06 -38.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.762 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.4 m -66.4 146.63 99.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.762 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.96 134.25 17.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 3.9 t80 -58.83 -14.87 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.455 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -65.02 -30.72 71.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.46 -36.4 68.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.6 t -51.56 -32.96 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.534 ' HA ' HD11 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -62.05 -66.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 11.2 mtpt -42.37 -48.41 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.74 -55.1 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.7 -22.74 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.6 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -77.65 -72.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.35 -33.8 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.51 -39.88 74.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.762 ' CD2' HD13 ' A' ' 17' ' ' LEU . 17.6 m-85 -96.11 8.97 42.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 60.95 41.35 14.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 44' ' ' ALA . 26.9 m -114.89 157.54 42.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.91 13.72 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.432 1.754 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.51 46.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.51 -49.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.7 p -104.45 39.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.95 149.98 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.25 152.2 16.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.534 HD11 ' HA ' ' A' ' 40' ' ' LEU . 6.7 mt -97.48 136.35 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.562 HG22 ' HA2' ' A' ' 63' ' ' GLY . 10.2 pt -131.42 168.97 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.3 p -85.73 -170.21 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -93.82 27.77 2.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.21 19.22 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.65 21.36 60.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.5 mt -103.9 137.83 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -69.52 -170.17 7.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.761 HG23 ' NE2' ' A' ' 77' ' ' HIS . 65.2 mt -138.36 144.92 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.451 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 50.1 m-80 -116.45 107.19 47.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.455 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.04 51.69 2.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.09 20.04 7.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER -162.69 171.27 17.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 72.5 p -56.67 145.15 29.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.5 -41.06 28.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.53 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -60.01 -23.35 59.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -94.94 -17.59 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 68.8 t -91.21 -46.27 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.53 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -71.31 -14.25 62.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.8 tp -91.31 -51.15 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -64.94 -41.96 95.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.761 ' NE2' HG23 ' A' ' 64' ' ' ILE . 94.4 m-70 -88.24 -49.11 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 127.11 178.33 15.27 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 p -94.28 -46.65 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -72.95 102.6 3.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.0 173.63 11.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 145.35 51.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.45 HG21 HD12 ' A' ' 17' ' ' LEU . 5.6 tt -95.44 118.0 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 85' ' ' PRO . 1.9 pp -116.78 156.87 47.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.594 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.2 Cg_endo -75.02 144.57 30.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.447 1.762 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -132.99 177.44 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.654 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 15.4 m -149.21 132.64 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -101.74 139.96 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.654 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 5.6 m-85 -119.61 119.97 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -98.41 96.05 7.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 mt -112.69 148.24 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 18' ' ' THR . 11.9 m -126.01 106.77 9.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -50.4 116.79 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 16' ' ' THR . 49.1 p -100.71 104.47 15.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.37 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 p -175.77 -73.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.6 156.16 89.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.11 4.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.77 -50.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 mp 64.0 65.25 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.44 42.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -125.9 155.45 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.556 ' HZ2' ' HB2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -145.3 139.01 26.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.4 104.26 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.575 HD11 ' CE1' ' A' ' 42' ' ' PHE . 23.7 tp -92.46 160.64 14.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.41 121.27 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.594 HG22 ' HE1' ' A' ' 13' ' ' PHE . 2.5 m -149.66 157.39 38.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.01 7.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' THR . 11.9 pt-20 -39.02 -45.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' GLU . 37.1 p -38.86 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.63 HG23 ' HD2' ' A' ' 35' ' ' PRO . 15.6 m -79.62 145.08 62.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.362 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.0 131.31 14.15 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.435 ' HA ' HG23 ' A' ' 39' ' ' VAL . 3.9 t80 -50.07 -23.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.66 -25.53 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.454 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.05 49.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 36' ' ' PHE . 66.4 t -56.59 -62.41 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -45.81 -46.06 15.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -61.09 -42.98 99.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.4 t80 -67.19 -53.01 34.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.442 ' HB2' ' HZ1' ' A' ' 26' ' ' LYS . . . -48.54 -37.31 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.509 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -60.45 -51.6 68.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -61.72 -16.52 49.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -37.58 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.964 ' O ' HG13 ' A' ' 49' ' ' VAL . 44.7 m-85 -94.87 25.7 3.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 42.33 48.16 4.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.964 HG13 ' O ' ' A' ' 47' ' ' PHE . 34.8 m -130.58 157.52 77.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.97 22.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.68 49.17 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.02 -49.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 p -93.86 36.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.1 p -129.45 157.83 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ILE . . . -161.87 152.31 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.572 HG22 HD12 ' A' ' 64' ' ' ILE . 74.1 mt -118.06 140.62 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 pt -136.59 179.31 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.5 p -98.43 -166.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -95.13 37.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.37 20.06 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.9 55.95 21.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.969 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.491 HG22 ' H ' ' A' ' 63' ' ' GLY . 1.5 mt -119.89 -140.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 62' ' ' ILE . . . -161.87 121.57 1.03 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.916 HG23 ' CD2' ' A' ' 77' ' ' HIS . 59.1 mt -66.17 146.91 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -116.18 106.84 48.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 51.81 2.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.49 -25.67 23.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.3 pm0 -119.99 167.85 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.5 p -51.15 148.55 4.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.49 -48.06 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -58.1 -22.9 50.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -95.4 -16.02 22.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG1' ' CG2' ' A' ' 64' ' ' ILE . 74.6 t -92.11 -46.28 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.5 ' O ' ' CA ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -71.02 -11.04 60.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.68 -45.14 8.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -74.51 -27.39 60.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.916 ' CD2' HG23 ' A' ' 64' ' ' ILE . 96.8 m-70 -102.27 -51.58 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.639 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.92 176.24 14.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.19 -33.64 15.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -83.87 105.01 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.91 166.24 25.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -119.09 135.75 54.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.3 tt -96.7 126.31 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' ALA . 2.0 pp -121.2 156.82 56.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.47 9.33 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -113.8 161.2 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.62 HG11 ' CE1' ' A' ' 74' ' ' PHE . 27.2 m -135.81 136.17 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 p -105.85 127.28 53.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.615 ' CE1' HG22 ' A' ' 30' ' ' VAL . 4.3 m-85 -100.25 121.72 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.77 95.33 7.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -120.73 154.97 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -129.61 133.17 47.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.747 ' O ' HD13 ' A' ' 23' ' ' LEU . 6.1 tp -68.86 139.67 55.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 19' ' ' SER . 7.7 p -127.77 115.88 19.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 18' ' ' THR . 2.1 p 165.14 -31.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.04 154.14 45.11 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 55.64 3.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.6 -45.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.747 HD13 ' O ' ' A' ' 17' ' ' LEU . 4.0 mm? 61.75 64.48 1.96 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.502 ' CG ' HD23 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.98 138.95 23.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -123.56 152.22 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.23 137.35 9.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 m -96.77 122.37 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.536 HD11 ' CG ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -98.58 125.72 43.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -100.31 117.06 33.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.615 HG22 ' CE1' ' A' ' 13' ' ' PHE . 2.3 m -142.23 160.86 53.31 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.06 21.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.475 ' HG2' HG13 ' A' ' 11' ' ' VAL . 45.0 mt-10 -48.43 -57.52 5.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' GLU . 22.9 t -36.65 -59.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.669 HG23 ' HD2' ' A' ' 35' ' ' PRO . 3.8 m -43.68 145.72 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.05 146.34 32.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.612 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 4.3 t80 -66.76 -20.4 65.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -58.12 -35.56 71.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.433 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.25 -41.53 89.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 97.2 t -48.04 -30.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.74 -64.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 4.3 mtpp -51.44 -52.87 42.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.536 ' CG ' HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -55.23 -60.28 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 39' ' ' VAL . . . -48.63 -45.11 37.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.51 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -49.62 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -43.68 -48.94 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -52.45 59.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -76.49 -3.95 40.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mttm 58.65 67.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.51 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 2.5 m -135.46 160.4 68.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 142.29 27.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.03 52.76 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.32 -52.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 11.4 p -102.08 52.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.5 p -140.9 137.26 33.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' ILE . . . -163.16 144.79 9.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.1 mt -107.23 133.9 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 2.9 pt -134.41 171.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 p -83.28 -169.33 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -96.32 34.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.567 ' HB3' HD11 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -147.66 27.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.61 78.98 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.567 HD11 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -144.77 -147.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.758 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.68 113.67 0.58 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.808 HG23 ' CD2' ' A' ' 77' ' ' HIS . 35.9 mt -59.52 142.96 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -107.61 106.51 58.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 51.7 2.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.17 -32.32 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.458 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.05 174.67 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASN . 31.8 p -60.54 151.26 29.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.24 -51.57 18.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.552 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.47 -22.22 37.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' THR . 80.1 m-20 -95.03 -15.83 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 68.9 t -93.58 -46.18 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.62 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.45 -15.3 62.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 3.3 tp -89.31 -48.85 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.536 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -65.7 -43.33 89.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.808 ' CD2' HG23 ' A' ' 64' ' ' ILE . 92.1 m-70 -86.7 -49.77 7.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.497 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 126.34 178.71 15.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.5 p -99.91 8.19 44.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.925 ' O ' HD23 ' A' ' 81' ' ' LEU . 7.5 mt-10 -119.45 106.69 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -147.24 170.74 16.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -125.23 142.52 51.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 83' ' ' ILE . 7.5 tt -96.31 110.63 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.9 pp -104.66 156.6 35.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.96 112.43 3.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.556 1.819 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -126.27 153.87 44.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.435 HG12 ' CZ ' ' A' ' 74' ' ' PHE . 9.7 m -118.96 125.77 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.5 p -98.77 126.51 44.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' CE2' ' A' ' 36' ' ' PHE . 5.2 m-85 -101.16 167.31 10.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.12 99.92 3.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -118.91 153.21 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 24' ' ' PRO . 1.2 m -138.73 140.92 38.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.698 HD13 ' CD1' ' A' ' 47' ' ' PHE . 2.5 tp -65.81 138.82 58.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.9 p -103.55 -35.06 8.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.9 t -57.22 -87.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -47.36 157.12 0.56 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -75.0 -165.72 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 69.6 -58.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 78.75 71.99 0.17 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.677 ' O ' HG23 ' A' ' 16' ' ' THR . 18.3 Cg_endo -75.02 165.71 30.7 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -131.66 156.43 45.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HZ2' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -155.05 130.66 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 t -98.33 121.92 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.584 HD21 ' CE1' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -93.25 162.78 13.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.401 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -141.46 109.52 5.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.465 HG22 ' HE1' ' A' ' 13' ' ' PHE . 1.3 m -142.96 161.96 45.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.97 122.38 7.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' PRO . 14.8 pt-20 -36.64 -46.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t -43.47 -48.79 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.72 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -56.66 146.26 57.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.72 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.92 158.76 42.31 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.584 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 2.1 t80 -79.31 -9.15 59.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 t -69.93 -35.93 74.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.18 -21.16 56.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.518 HG13 HD13 ' A' ' 28' ' ' LEU . 82.2 t -68.07 -43.77 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.493 HD12 HG13 ' A' ' 56' ' ' ILE . 1.6 tt -49.52 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -45.33 -58.97 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.584 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.3 t80 -48.51 -47.06 39.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -58.72 -70.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.18 -35.74 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.45 -46.68 88.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -62.86 -47.99 80.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.698 ' CD1' HD13 ' A' ' 17' ' ' LEU . 39.1 m-85 -65.43 -16.42 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 71.56 62.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.37 161.25 39.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.48 12.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.45 -13.23 57.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.64 81.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 p -118.28 37.99 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 p -121.34 155.91 33.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.656 ' HB2' ' HG3' ' A' ' 86' ' ' ARG . . . -162.5 151.27 14.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.493 HG13 HD12 ' A' ' 40' ' ' LEU . 79.1 mt -116.14 139.72 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.401 HD12 ' HA2' ' A' ' 61' ' ' GLY . 9.3 pt -142.11 170.05 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.955 HG22 HD22 ' A' ' 81' ' ' LEU . 71.8 p -103.26 -166.32 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 1.7 m-20 -72.42 153.94 41.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 7.1 t0 84.82 -48.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' HA2' HD12 ' A' ' 57' ' ' ILE . . . 128.96 55.98 0.11 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.8 mm -119.61 122.39 68.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.42 -163.85 2.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.96 HG23 ' CD2' ' A' ' 77' ' ' HIS . 7.4 mt -135.9 145.37 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.71 103.57 55.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.63 2.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.97 -21.95 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -121.71 171.7 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.413 ' O ' HG23 ' A' ' 73' ' ' VAL . 67.8 p -59.42 151.98 22.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.32 -48.14 25.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.46 -23.91 50.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' THR . 43.5 m-20 -95.27 -14.16 24.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.438 ' CG1' ' CG2' ' A' ' 64' ' ' ILE . 75.7 t -93.7 -45.55 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.491 ' O ' ' CA ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -72.63 -14.06 61.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.9 tp -90.14 -40.84 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.5 OUTLIER -74.51 -41.64 60.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.96 ' CD2' HG23 ' A' ' 64' ' ' ILE . 96.0 m-70 -90.32 -50.49 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 129.83 -169.83 20.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 p -102.31 -34.11 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -83.62 104.83 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.955 HD22 HG22 ' A' ' 58' ' ' THR . 0.8 OUTLIER -136.82 165.97 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -121.23 139.83 52.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.471 HG23 ' O ' ' A' ' 83' ' ' ILE . 3.1 tt -96.95 112.1 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.2 pp -111.06 156.5 40.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.79 8.14 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.506 1.792 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.656 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -109.98 166.8 10.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.697 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 6.1 m -135.53 124.0 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.2 p -91.02 135.03 34.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.697 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 4.2 m-85 -114.25 125.34 53.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.9 95.43 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mt -110.45 159.2 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.661 HG21 HD23 ' A' ' 23' ' ' LEU . 2.6 m -134.7 137.07 43.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 tp -81.77 122.58 27.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.5 p -104.86 68.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.2 p -139.5 -70.12 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.98 153.55 86.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.56 5.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.53 -47.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.661 HD23 HG21 ' A' ' 16' ' ' THR . 0.7 OUTLIER 66.93 64.43 0.76 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -74.94 127.79 11.01 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 5.1 p90 -80.64 153.11 28.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -131.66 143.87 50.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 t -133.45 98.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.667 HD11 ' CE1' ' A' ' 42' ' ' PHE . 26.2 tp -97.54 149.27 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.58 111.67 15.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.649 HG22 ' CE1' ' A' ' 13' ' ' PHE . 1.8 m -137.83 160.96 62.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.99 126.34 9.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' PRO . 12.1 pt-20 -35.36 -47.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.415 ' O ' ' HB ' ' A' ' 69' ' ' THR . 0.9 OUTLIER -44.79 -56.88 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -44.76 141.84 2.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 34' ' ' THR . 18.2 Cg_endo -74.97 148.71 35.78 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CE2' ' CD2' ' A' ' 13' ' ' PHE . 2.5 t80 -71.84 -8.51 54.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 t -69.98 -35.27 74.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.64 -33.39 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.39 -47.4 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -48.59 -59.53 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -62.43 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.667 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.4 t80 -43.0 -52.13 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 -61.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' PHE . . . -42.07 -66.46 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.31 -34.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CB ' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -71.96 -43.59 64.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 26' ' ' LYS . 8.9 m-85 -83.41 9.61 10.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' O ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER 54.18 73.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -155.2 163.95 22.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.6 10.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.43 49.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.66 -49.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.3 p -95.89 48.09 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -135.29 164.9 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' A' ' 86' ' ' ARG . . . -162.54 153.36 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.871 HG22 HD12 ' A' ' 64' ' ' ILE . 54.2 mt -115.55 143.85 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.414 HG22 ' HA2' ' A' ' 63' ' ' GLY . 3.0 pt -147.55 173.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.8 p -104.76 166.03 10.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 71.6 m-80 -65.41 87.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER 159.3 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.68 -35.14 3.39 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.5 mm -46.47 132.27 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -84.23 -166.56 41.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.878 HG23 ' CD2' ' A' ' 77' ' ' HIS . 39.4 mt -133.76 145.85 32.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -119.84 114.07 34.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 51.7 2.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.86 -27.74 30.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.449 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -117.42 177.29 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 33' ' ' SER . 32.4 p -63.94 158.81 21.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -51.07 -53.6 32.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.57 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.8 -20.53 33.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -94.91 -17.25 22.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 42.3 t -93.92 -45.86 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.611 ' CZ ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.34 -13.05 62.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.072 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.28 -46.13 8.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -68.19 -42.08 80.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.878 ' CD2' HG23 ' A' ' 64' ' ' ILE . 92.1 m-70 -89.72 -48.61 7.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.52 -178.25 16.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 p -101.45 3.89 40.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.918 ' O ' HD23 ' A' ' 81' ' ' LEU . 49.9 mt-10 -118.86 108.65 15.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.918 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -146.74 -177.05 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 146.26 49.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 83' ' ' ILE . 6.3 tt -103.94 109.07 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 85' ' ' PRO . 0.9 OUTLIER -109.22 154.77 41.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.576 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.6 Cg_endo -74.93 134.87 18.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.414 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 4.2 ttm-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -132.5 172.29 12.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.694 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 17.7 m -146.92 127.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.19 124.3 47.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.04 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.694 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.52 130.91 51.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -95.84 95.37 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -109.78 151.16 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.687 ' CG2' HD12 ' A' ' 23' ' ' LEU . 1.3 m -131.71 114.44 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.726 HD11 ' OG ' ' A' ' 19' ' ' SER . 10.5 tp -61.02 131.07 49.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 16' ' ' THR . 59.2 p -128.89 60.89 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.726 ' OG ' HD11 ' A' ' 17' ' ' LEU . 59.8 p -147.97 56.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 19' ' ' SER . 0.4 OUTLIER 163.4 172.15 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.1 Cg_endo -75.0 56.5 4.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.502 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -172.83 158.24 3.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.687 HD12 ' CG2' ' A' ' 16' ' ' THR . 2.7 mm? -133.15 66.5 75.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.29 30.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -123.47 153.18 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.482 ' CE ' ' HA ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -160.47 133.86 6.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.9 m -100.18 121.78 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.484 HD11 ' CE2' ' A' ' 42' ' ' PHE . 6.7 tp -103.26 124.62 48.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.71 121.92 44.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.619 HG22 ' HE1' ' A' ' 13' ' ' PHE . 15.5 m -141.4 158.25 64.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.9 8.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.47 ' O ' ' HB ' ' A' ' 69' ' ' THR . 17.1 pt-20 -39.07 -44.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' GLU . 6.2 t -38.47 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.737 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.4 m -86.65 146.58 41.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.478 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.737 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.5 Cg_endo -74.95 142.59 28.19 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.442 ' CE2' ' CD2' ' A' ' 13' ' ' PHE . 6.9 t80 -59.74 -13.92 12.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.447 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.2 t -68.15 -29.27 68.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.52 -27.12 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.467 HG13 HD23 ' A' ' 28' ' ' LEU . 69.9 t -62.01 -45.1 99.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.517 ' HB2' HD12 ' A' ' 56' ' ' ILE . 0.7 OUTLIER -52.82 -66.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -59.59 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.484 ' CE2' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -49.32 -59.51 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.482 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -45.22 -63.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.603 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . . . -43.66 -61.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -51.31 -41.34 60.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' CB ' ' HE2' ' A' ' 26' ' ' LYS . 5.8 mm-40 -65.75 -20.46 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.478 ' O ' HG13 ' A' ' 49' ' ' VAL . 6.3 m-85 -102.25 3.62 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.24 44.08 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 47' ' ' PHE . 16.2 m -134.37 156.96 78.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 123.51 7.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -82.38 -14.87 54.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.58 -39.77 77.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.5 p -112.04 40.57 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.2 p -119.49 155.38 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.17 149.57 23.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.517 HD12 ' HB2' ' A' ' 40' ' ' LEU . 25.9 mt -120.07 143.82 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 pt -144.52 163.06 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 p -90.25 156.76 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -61.72 88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 166.06 -30.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.83 31.5 3.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 62' ' ' ILE . 21.1 mm -112.01 130.99 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.39 -167.11 4.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.906 HG23 ' CD2' ' A' ' 77' ' ' HIS . 12.6 mt -138.11 146.65 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.43 103.57 54.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 51.74 2.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.13 -6.71 27.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -131.81 170.72 14.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 19.3 p -58.94 147.07 35.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.06 -45.65 32.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.646 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -60.17 -22.57 58.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.5 m-20 -95.1 -14.63 24.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 42.1 t -93.88 -46.72 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.495 ' O ' ' CA ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -70.11 -10.84 60.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.63 -48.19 6.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.0 ptpt -72.29 -29.27 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.906 ' CD2' HG23 ' A' ' 64' ' ' ILE . 96.3 m-70 -99.43 -50.61 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.01 -174.55 17.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 p -102.07 -36.78 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.663 ' O ' HD23 ' A' ' 81' ' ' LEU . 6.9 mt-10 -76.39 101.97 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.7 OUTLIER -142.08 160.7 39.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -117.17 138.75 51.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 83' ' ' ILE . 8.1 tt -95.95 104.99 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -105.63 154.11 39.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 131.86 14.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -126.85 166.83 16.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 14.9 m -132.09 150.37 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.7 p -116.29 126.38 53.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CE2' HG22 ' A' ' 30' ' ' VAL . 16.4 m-85 -102.12 121.67 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.62 95.39 6.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' LYS . 3.9 mt -121.39 145.07 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.1 m -123.8 131.71 53.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.553 ' O ' HD13 ' A' ' 23' ' ' LEU . 5.9 tp -64.76 127.94 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.401 HG22 HD11 ' A' ' 23' ' ' LEU . 17.9 p -110.79 92.96 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.4 p -170.64 -64.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.07 153.47 74.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 69.65 5.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.05 -44.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 17' ' ' LEU . 2.5 mm? 59.28 64.32 3.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.0 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -71.61 154.04 41.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HZ1' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -130.65 147.92 52.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 t -137.69 95.96 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.811 HD21 ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -93.97 137.13 33.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -112.69 115.41 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.588 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.5 m -145.29 161.12 43.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.77 38.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.469 ' HG2' ' CG1' ' A' ' 11' ' ' VAL . 44.6 mt-10 -55.16 -57.87 9.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -37.98 -59.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.052 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -39.29 144.52 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.05 157.57 42.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.451 1.763 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.433 ' HE1' HD13 ' A' ' 56' ' ' ILE . 4.6 t80 -83.56 -39.06 20.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 t -43.17 -34.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.64 -48.02 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.9 t -40.9 -38.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.65 ' C ' HD13 ' A' ' 40' ' ' LEU . 1.6 tm? -55.4 -62.16 1.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -57.67 9.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.811 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -49.46 -46.71 48.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.09 -58.21 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.42 ' HA ' HG23 ' A' ' 49' ' ' VAL . . . -47.98 -54.99 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.97 -23.44 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' CG ' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -78.95 -39.95 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 26' ' ' LYS . 20.0 m-85 -89.87 16.13 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.56 61.63 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.42 HG23 ' HA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -140.85 163.8 40.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.28 20.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.809 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.21 53.15 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.05 -54.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 20.4 p -90.42 40.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.457 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -140.97 151.06 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HB2' ' HG3' ' A' ' 86' ' ' ARG . . . -161.8 165.98 27.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 64' ' ' ILE . 29.5 mt -116.74 140.0 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.4 pt -137.05 163.52 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 62' ' ' ILE . 71.8 p -81.28 164.05 22.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -59.21 -42.33 90.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -19.94 38.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.59 53.2 2.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 58' ' ' THR . 64.3 mt -138.57 138.88 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.46 169.98 3.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.789 HG23 ' CD2' ' A' ' 77' ' ' HIS . 55.5 mt -119.65 142.87 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.34 103.8 53.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 51.46 2.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.6 -22.36 32.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -115.96 178.46 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' ASN . 71.9 p -65.34 150.99 47.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.98 -50.76 18.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.453 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.18 -22.6 44.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.5 m-80 -95.77 -15.26 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 54.2 t -93.27 -47.17 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CE2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -67.85 -13.02 61.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.43 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -90.72 -59.58 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.552 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -58.17 -57.21 13.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.789 ' CD2' HG23 ' A' ' 64' ' ' ILE . 88.8 m-70 -71.81 -47.79 50.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.488 ' O ' HD11 ' A' ' 81' ' ' LEU . . . 122.83 156.56 9.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.3 p -77.86 -47.02 19.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 0.805 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -72.96 106.19 4.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.488 HD11 ' O ' ' A' ' 78' ' ' GLY . 0.5 OUTLIER -139.18 176.97 8.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -123.82 144.75 49.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 83' ' ' ILE . 13.7 tt -96.75 111.83 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -109.65 156.66 39.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -74.97 131.35 14.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.561 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -132.49 159.14 40.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.583 HG11 ' HA2' ' A' ' 71' ' ' GLY . 34.7 m -120.07 147.95 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.445 ' HB2' HG23 ' A' ' 27' ' ' VAL . 3.9 p -120.07 134.0 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.508 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 7.9 m-85 -111.59 110.76 21.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -95.19 99.25 11.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -112.15 155.18 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 24' ' ' PRO . 34.4 m -136.22 118.46 15.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.459 HD12 ' H ' ' A' ' 18' ' ' THR . 6.6 tp -54.29 148.24 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.459 ' H ' HD12 ' A' ' 17' ' ' LEU . 79.0 p -123.38 89.99 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 p -169.08 -58.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.046 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.12 168.28 22.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -36.07 2.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.781 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -95.55 63.93 2.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 16' ' ' THR . 1.8 mp -39.2 99.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.739 ' O ' HG23 ' A' ' 16' ' ' THR . 18.3 Cg_endo -75.02 158.47 42.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -116.46 154.6 30.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.603 ' NZ ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -148.7 129.97 14.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 12' ' ' SER . 0.2 OUTLIER -117.79 116.44 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD12 ' NZ ' ' A' ' 26' ' ' LYS . 1.7 mt -91.5 173.15 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.5 p -145.08 113.3 6.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.44 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -145.06 163.36 33.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 132.48 15.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -45.09 -25.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -68.42 -46.79 68.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.684 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -52.33 144.88 21.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.684 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.98 158.85 42.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CE2' ' CD1' ' A' ' 13' ' ' PHE . 2.5 t80 -83.71 -11.2 57.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -30.37 66.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.23 -27.41 53.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' LEU . 97.8 t -61.06 -55.19 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.437 HD13 HG13 ' A' ' 56' ' ' ILE . 4.5 tp -40.41 -61.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 16.2 mttt -45.16 -54.3 7.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -58.67 -58.71 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.964 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' PHE . . . -39.67 -48.4 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.626 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -47.95 -53.29 16.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.89 -39.88 69.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.39 -32.37 70.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.824 ' O ' HG13 ' A' ' 49' ' ' VAL . 20.6 m-85 -104.06 19.76 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.27 59.0 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.824 HG13 ' O ' ' A' ' 47' ' ' PHE . 34.0 m -134.6 157.39 77.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.97 21.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.45 60.81 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.57 -49.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.2 p -98.82 36.54 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -140.33 158.44 44.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.57 155.53 19.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.437 HG13 HD13 ' A' ' 40' ' ' LEU . 65.5 mt -114.18 138.95 42.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.47 HD12 ' CA ' ' A' ' 61' ' ' GLY . 31.9 pt -131.86 162.21 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.911 HG23 HG22 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -107.24 173.77 6.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.455 ' N ' ' OG1' ' A' ' 58' ' ' THR . 31.9 m-20 -40.19 138.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.23 13.95 9.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.47 ' CA ' HD12 ' A' ' 57' ' ' ILE . . . 37.91 62.12 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.911 HG22 HG23 ' A' ' 58' ' ' THR . 4.8 tt -90.91 8.46 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 62' ' ' ILE . . . 58.01 116.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.506 HG23 ' CD2' ' A' ' 77' ' ' HIS . 84.4 mt -73.25 163.35 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.461 ' N ' HG22 ' A' ' 64' ' ' ILE . 3.1 m-80 -140.76 120.44 8.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.46 2.78 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.454 1.766 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.77 -30.14 36.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.424 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.6 pm0 -125.85 170.38 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' ASN . 44.8 p -55.39 152.01 9.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.43 -52.94 12.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.583 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -55.67 -22.06 31.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 69' ' ' THR . 75.9 m-20 -95.66 -17.88 20.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 77' ' ' HIS . 75.0 t -90.98 -46.48 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.493 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -69.28 -11.04 60.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.51 -48.63 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.53 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -72.55 -29.51 63.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.53 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 95.3 m-70 -97.62 -50.24 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.637 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.57 171.2 13.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.49 -29.12 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.055 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.534 ' O ' HD23 ' A' ' 81' ' ' LEU . 25.2 mt-10 -89.54 109.0 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 80' ' ' GLU . 1.1 mt -142.58 163.56 32.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.19 144.81 43.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.5 tt -101.24 121.66 52.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 85' ' ' PRO . 1.6 pp -113.75 154.8 45.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.415 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.2 Cg_endo -75.05 140.27 25.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -135.49 175.53 9.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.57 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 29.5 m -150.26 143.66 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.5 p -113.06 121.54 44.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.963 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.644 ' HE2' HG22 ' A' ' 30' ' ' VAL . 11.3 m-85 -98.62 117.19 32.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.13 98.03 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.401 HG21 ' HB ' ' A' ' 83' ' ' ILE . 7.8 mt -113.92 153.14 15.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.521 HG22 HD23 ' A' ' 23' ' ' LEU . 42.1 m -132.55 103.04 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.406 HD11 ' OG ' ' A' ' 19' ' ' SER . 7.8 tp -60.13 103.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -97.01 47.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.443 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.406 ' OG ' HD11 ' A' ' 17' ' ' LEU . 66.3 p -109.16 6.92 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.92 160.57 30.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.24 3.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.25 -49.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.521 HD23 HG22 ' A' ' 16' ' ' THR . 1.9 mp 65.41 64.08 1.01 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -74.98 108.4 2.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -91.57 149.67 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.643 ' HZ2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -160.72 133.24 6.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -89.67 129.01 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.681 HD11 ' CE1' ' A' ' 42' ' ' PHE . 57.2 tp -106.74 125.25 50.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.418 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 16.3 p -102.1 124.84 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.644 HG22 ' HE2' ' A' ' 13' ' ' PHE . 2.6 m -151.17 158.9 34.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -75.0 118.0 5.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' THR . 8.0 pt-20 -38.2 -46.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -38.27 -31.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.024 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.7 m -76.64 146.68 77.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -75.02 124.72 8.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -43.85 -25.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.444 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.1 t -56.42 -30.89 63.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.12 -41.57 70.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.661 HG13 HD23 ' A' ' 28' ' ' LEU . 98.3 t -45.68 -49.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.867 HD11 ' OG ' ' A' ' 54' ' ' SER . 6.8 tp -48.55 -58.45 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -55.49 -58.08 9.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.681 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -47.58 -63.29 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.42 -58.27 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.459 ' CA ' HG23 ' A' ' 49' ' ' VAL . . . -42.05 -65.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -46.33 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -38.23 75.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -86.6 13.93 7.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.65 55.41 9.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.459 HG23 ' CA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -130.06 164.04 43.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.79 5.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.84 55.9 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.25 -47.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 46.5 p -103.11 46.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.867 ' OG ' HD11 ' A' ' 40' ' ' LEU . 10.6 p -130.1 155.9 45.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.13 153.83 18.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.7 mt -116.59 135.16 57.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 pt -127.22 171.72 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.5 p -95.17 -166.26 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -92.53 28.77 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -157.57 26.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 37.33 48.62 1.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 6.0 mt -105.38 1.94 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.51 -177.76 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 65' ' ' ASN . 2.9 mm -123.0 168.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.528 ' N ' HG22 ' A' ' 64' ' ' ILE . 34.9 m-20 -135.93 99.1 11.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.444 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 51.62 2.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.4 -17.63 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.1 pm0 -127.07 165.58 19.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 74.7 p -50.92 149.15 3.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.448 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.36 -50.11 52.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.567 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -55.86 -20.98 28.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -94.76 -16.56 22.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 71.4 t -93.75 -45.92 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -70.42 -12.54 61.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 3.8 tp -91.89 -46.18 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.483 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -72.53 -27.04 61.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.5 ' ND1' HD13 ' A' ' 64' ' ' ILE . 97.2 m-70 -102.58 -50.62 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 130.82 -168.61 21.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 p -109.31 -31.06 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -83.59 105.54 14.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.61 164.64 29.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -115.34 136.84 52.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 83' ' ' ILE . 10.1 tt -98.71 112.4 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pp -121.75 156.72 58.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.98 122.62 7.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.779 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -132.75 168.76 17.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.586 HG11 ' CE1' ' A' ' 74' ' ' PHE . 15.9 m -140.14 133.15 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.516 ' HB3' HG23 ' A' ' 27' ' ' VAL . 27.6 m -99.8 141.41 32.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.693 ' CE2' HG22 ' A' ' 30' ' ' VAL . 7.5 m-85 -116.67 110.57 18.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -87.63 95.3 10.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 mt -113.71 136.65 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 24' ' ' PRO . 1.2 m -112.56 112.72 24.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.705 HD22 ' CD1' ' A' ' 47' ' ' PHE . 11.7 tp -54.95 128.4 33.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -99.85 -25.7 14.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.361 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -52.72 -45.29 66.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.26 155.03 60.33 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' HD12 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.02 -45.76 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -47.09 -30.77 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 57.37 64.63 4.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.04 164.36 33.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -113.95 151.82 31.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -137.06 145.24 43.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.516 HG23 ' HB3' ' A' ' 12' ' ' SER . 0.2 OUTLIER -139.48 95.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 42' ' ' PHE . 6.0 tp -93.62 140.01 30.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.12 117.73 34.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.693 HG22 ' CE2' ' A' ' 13' ' ' PHE . 2.5 m -136.76 160.12 67.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.74 18.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 33' ' ' SER . 29.2 mt-10 -40.85 -58.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.2 m -37.26 -64.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.625 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -38.09 143.27 0.42 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.625 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.93 146.62 33.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CE2' ' CE1' ' A' ' 13' ' ' PHE . 4.3 t80 -66.13 -25.38 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 2.3 t -53.65 -35.31 60.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.9 87.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.481 HG21 ' CZ ' ' A' ' 13' ' ' PHE . 86.1 t -50.6 -52.29 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.563 HD11 ' OG ' ' A' ' 54' ' ' SER . 5.7 tp -47.02 -62.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -48.72 -63.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.462 ' CD1' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -44.04 -63.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.4 -57.73 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HB1' HG23 ' A' ' 49' ' ' VAL . . . -44.97 -58.44 3.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -34.72 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.35 -31.02 71.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.705 ' CD1' HD22 ' A' ' 17' ' ' LEU . 8.3 m-85 -94.31 -6.24 44.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.08 60.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.528 HG23 ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -136.32 162.22 57.7 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.42 10.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.2 72.0 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.24 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 48.4 p -99.9 38.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.563 ' OG ' HD11 ' A' ' 40' ' ' LEU . 8.5 p -137.14 156.01 48.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.15 145.85 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 53.3 mt -103.83 143.11 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.949 HG22 ' HA2' ' A' ' 63' ' ' GLY . 5.1 pt -137.12 158.57 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.466 HG22 ' HB3' ' A' ' 77' ' ' HIS . 42.8 p -70.0 173.34 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.438 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -65.32 -13.85 59.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.51 -5.94 23.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.465 ' HA2' HD12 ' A' ' 57' ' ' ILE . . . 64.94 63.21 4.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.469 1.106 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.532 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 1.2 mm -117.98 1.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.949 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . 72.99 161.87 6.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.618 HG23 ' CD2' ' A' ' 77' ' ' HIS . 5.4 mm -109.69 164.79 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -133.26 99.63 14.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.97 51.2 2.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.43 -17.47 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.427 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -123.28 -175.43 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 33' ' ' SER . 30.1 p -71.22 147.27 48.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.36 -51.24 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.463 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.13 -23.96 19.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' THR . 13.2 m-20 -95.53 -20.11 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.446 HG13 ' CG2' ' A' ' 64' ' ' ILE . 75.2 t -86.4 -45.74 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -73.3 -14.35 61.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.5 tp -91.72 -47.47 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.7 ptmt -69.43 -39.34 77.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.618 ' CD2' HG23 ' A' ' 64' ' ' ILE . 89.7 m-70 -92.39 -51.57 5.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.638 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 130.21 174.84 13.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -93.4 -40.81 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.989 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.88 102.81 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.31 176.65 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.47 144.36 51.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.569 ' CG2' HD12 ' A' ' 17' ' ' LEU . 7.4 tt -100.4 124.35 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.7 156.74 79.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -74.98 126.57 10.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -123.15 173.11 8.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.728 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 17.2 m -138.95 136.24 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 p -109.16 124.71 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.728 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -105.04 135.04 47.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -109.31 98.54 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.413 HG21 ' HB ' ' A' ' 83' ' ' ILE . 8.7 mt -119.96 158.28 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.5 m -135.88 124.12 23.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.529 HD11 ' OG ' ' A' ' 19' ' ' SER . 8.6 tp -62.7 128.7 37.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -106.04 90.5 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.529 ' OG ' HD11 ' A' ' 17' ' ' LEU . 5.7 p -179.15 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.92 149.23 98.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 65.04 6.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 172.05 -33.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp 64.16 77.76 0.3 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.08 42.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -124.97 154.19 41.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' NZ ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -148.86 134.65 18.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 t -91.93 115.65 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.654 HD21 ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -92.43 164.09 13.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.458 ' H ' HD23 ' A' ' 28' ' ' LEU . 24.2 p -145.62 115.31 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.536 HG22 ' CE1' ' A' ' 13' ' ' PHE . 1.5 m -144.26 161.34 45.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -75.01 123.76 8.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' PRO . 7.2 pt-20 -35.76 -46.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 69' ' ' THR . 1.4 t -42.28 -55.16 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.442 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 1.1 m -47.67 138.84 9.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.96 147.32 33.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.81 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.468 ' HE1' HD13 ' A' ' 56' ' ' ILE . 2.3 t80 -61.93 -16.38 50.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 t -65.12 -33.34 75.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.92 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.9 t -60.28 -42.57 91.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.499 ' C ' HD13 ' A' ' 40' ' ' LEU . 3.3 tm? -51.19 -53.11 38.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 2.8 tttt -61.37 -60.43 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.654 ' CE1' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -47.36 -63.01 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.79 -52.36 3.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -46.29 -67.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.57 -33.4 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -41.91 97.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -94.18 1.44 56.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mttp 65.46 40.33 4.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 25.9 m -119.67 157.18 52.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.5 25.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.72 39.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.53 -48.42 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 75.4 p -98.32 34.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.0 m -131.39 156.32 45.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 86' ' ' ARG . . . -162.73 157.01 21.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.468 HD13 ' HE1' ' A' ' 36' ' ' PHE . 17.2 mt -107.32 151.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.436 HG23 ' C ' ' A' ' 56' ' ' ILE . 6.1 pt -152.23 179.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.888 ' CG2' HD11 ' A' ' 64' ' ' ILE . 48.4 p -106.25 -172.03 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -89.78 15.78 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -127.19 21.37 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.5 51.36 43.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.5 mm -134.95 125.19 45.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.26 -171.23 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.888 HD11 ' CG2' ' A' ' 58' ' ' THR . 19.8 mm -134.39 145.18 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.58 100.98 44.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 51.15 2.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.7 -13.22 43.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.429 ' HG2' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -124.35 179.9 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 33' ' ' SER . 43.4 p -68.21 150.43 48.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.368 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -48.79 -48.02 41.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.559 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -59.1 -20.27 49.02 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.76 -17.68 21.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.429 HG23 ' HG2' ' A' ' 68' ' ' GLN . 30.5 t -93.81 -45.67 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.639 ' CZ ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.72 -14.14 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.516 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 4.0 tp -91.25 -58.67 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -56.65 -58.2 9.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.594 ' CG ' HD12 ' A' ' 64' ' ' ILE . 91.8 m-70 -74.67 -47.45 31.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.522 ' O ' HD11 ' A' ' 81' ' ' LEU . . . 124.5 157.89 9.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -44.78 36.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.577 ' O ' HD23 ' A' ' 81' ' ' LEU . 20.6 mt-10 -67.64 104.42 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.24 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.7 OUTLIER -144.48 166.22 25.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -116.39 146.69 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 83' ' ' ILE . 14.7 tt -100.78 113.02 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 55' ' ' ALA . 1.7 pp -109.13 156.69 38.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.99 132.88 15.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -131.5 165.12 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.621 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 27.5 m -138.47 131.06 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 p -96.49 129.48 43.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CE2' HG22 ' A' ' 30' ' ' VAL . 8.8 m-85 -103.17 111.02 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.79 95.47 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 mt -126.74 156.83 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.581 HG22 ' HG ' ' A' ' 23' ' ' LEU . 32.5 m -130.13 132.67 46.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -51.26 98.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 m -82.76 76.13 9.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.2 p -171.0 -54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.32 165.57 43.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -46.59 -42.47 16.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HG ' HG22 ' A' ' 16' ' ' THR . 0.8 OUTLIER 58.41 64.56 3.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 16' ' ' THR . 18.4 Cg_endo -75.01 154.88 42.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -119.03 152.61 36.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 129.19 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 m -94.9 125.41 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.778 HD23 HG13 ' A' ' 39' ' ' VAL . 55.8 tp -102.28 128.96 48.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -101.95 119.71 39.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.604 HG22 ' CE2' ' A' ' 13' ' ' PHE . 2.0 m -141.03 160.26 58.77 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.57 14.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HG2' HG13 ' A' ' 11' ' ' VAL . 32.5 mt-10 -42.07 -55.96 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLU . 13.4 p -37.65 -56.23 1.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.626 HG23 ' HD2' ' A' ' 35' ' ' PRO . 17.7 m -50.32 144.69 11.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.97 161.56 38.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.455 ' CE2' ' CD1' ' A' ' 13' ' ' PHE . 3.7 t80 -79.27 -14.31 59.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 t -66.56 -30.6 70.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.44 -29.45 62.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.778 HG13 HD23 ' A' ' 28' ' ' LEU . 81.6 t -60.5 -42.07 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER -52.07 -64.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -44.94 -61.36 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -47.46 -60.64 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.42 -56.84 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -44.61 -69.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.81 -46.74 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -44.95 61.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.72 ' O ' HG13 ' A' ' 49' ' ' VAL . 31.7 m-85 -87.86 17.49 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptt 48.1 55.84 8.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 47' ' ' PHE . 16.3 m -132.37 157.39 78.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.25 15.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.555 1.818 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.79 50.38 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.17 -50.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.0 p -96.89 46.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 m -138.67 158.02 45.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 110.058 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.473 ' HA ' HD11 ' A' ' 40' ' ' LEU . . . -163.15 159.89 23.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.713 HG22 HD12 ' A' ' 64' ' ' ILE . 89.8 mt -121.34 136.25 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.1 pt -133.24 173.95 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.5 p -94.61 -169.37 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.8 -20.18 59.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.14 14.67 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 45.83 57.61 5.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -98.14 5.0 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 0.742 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 62' ' ' ILE . . . 58.63 118.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.17 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.713 HD12 HG22 ' A' ' 56' ' ' ILE . 27.7 mt -74.1 143.9 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.774 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.69 107.2 44.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.29 2.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.29 -24.14 26.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -117.84 -176.03 2.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' ASN . 47.7 p -71.86 149.04 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.2 -50.65 15.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.7 -24.79 26.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' THR . 2.1 m-20 -96.21 -19.73 19.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.783 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 69' ' ' THR . 73.4 t -85.52 -46.57 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.621 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.43 -13.77 61.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.5 tp -91.29 -48.8 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.481 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -66.34 -44.42 83.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.672 ' CD2' HG23 ' A' ' 64' ' ' ILE . 95.0 m-70 -87.02 -50.41 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.59 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 129.3 -176.26 18.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.6 p -97.86 -28.66 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.672 ' O ' HD23 ' A' ' 81' ' ' LEU . 15.9 mt-10 -89.52 107.96 19.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 80' ' ' GLU . 1.3 mt -142.94 179.21 7.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -128.19 148.6 50.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 83' ' ' ILE . 8.6 tt -113.04 106.63 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 85' ' ' PRO . 1.7 pp -106.96 155.27 39.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.526 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.0 140.27 25.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -125.93 173.26 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.6 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 33.5 m -135.22 153.57 34.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.5 p -118.91 128.88 54.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.789 ' CE2' HG22 ' A' ' 30' ' ' VAL . 8.3 m-85 -106.81 125.52 51.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.72 95.46 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -111.91 143.7 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.439 ' CG2' HD12 ' A' ' 23' ' ' LEU . 1.2 m -121.92 108.86 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.487 HD13 ' CD2' ' A' ' 47' ' ' PHE . 9.9 tp -50.83 122.82 7.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -124.6 58.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -137.75 -57.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.422 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -69.67 173.89 3.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.0 55.76 4.05 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.796 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -173.91 168.16 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.356 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.796 HD22 ' O ' ' A' ' 22' ' ' ARG . 4.1 mm? -130.49 69.33 82.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.01 6.5 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -131.16 154.42 48.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.77 149.27 51.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.5 t -137.65 95.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.738 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -93.24 137.88 32.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.32 108.29 14.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.789 HG22 ' CE2' ' A' ' 13' ' ' PHE . 10.7 m -136.99 158.21 73.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -74.99 139.05 23.84 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' SER . 27.4 mt-10 -38.8 -57.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 69' ' ' THR . 0.2 OUTLIER -37.21 -64.15 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.616 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.7 m -38.65 142.92 0.48 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.0 157.1 42.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.42 -11.35 59.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.7 t -68.87 -36.17 77.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.41 -31.28 71.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.3 t -58.62 -54.16 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.838 HD21 ' HB2' ' A' ' 54' ' ' SER . 1.9 tt -46.61 -62.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 10.1 mtmt -49.64 -62.73 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.738 ' CD1' HD21 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -43.79 -52.59 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.54 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . . . -61.81 -36.37 80.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.506 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -63.6 -66.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -46.48 -35.07 5.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.96 -37.79 75.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.523 ' O ' HG13 ' A' ' 49' ' ' VAL . 2.2 m-85 -90.71 22.34 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER 40.51 56.03 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 47' ' ' PHE . 2.5 m -131.15 160.35 67.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.46 ' HB1' ' HG2' ' A' ' 41' ' ' LYS . . . -86.35 54.92 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.5 -54.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.58 55.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.838 ' HB2' HD21 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -139.77 154.88 47.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.525 ' HA ' HD11 ' A' ' 40' ' ' LEU . . . -162.71 139.46 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.62 HD12 HD12 ' A' ' 40' ' ' LEU . 15.9 mt -95.03 136.52 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.583 HG22 ' HA2' ' A' ' 63' ' ' GLY . 3.8 pt -131.04 162.39 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 p -92.62 157.32 16.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.7 m-20 -65.86 84.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 22.9 t0 175.72 -34.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.51 51.13 0.59 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.5 mm -140.5 140.84 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.225 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.583 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -78.14 -178.03 48.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.686 HG23 ' CD2' ' A' ' 77' ' ' HIS . 13.0 mt -127.06 141.99 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -110.66 101.67 49.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 51.5 2.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.5 -16.7 28.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -117.87 -169.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 33' ' ' SER . 21.0 p -77.12 145.96 37.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.34 -47.41 25.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.56 -24.27 46.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' CB ' ' HG3' ' A' ' 68' ' ' GLN . 69.9 m-20 -94.96 -14.95 23.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 53.2 t -92.35 -47.32 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.48 -13.38 62.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.4 tp -91.2 -51.27 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.496 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 13.2 ptmt -67.75 -45.62 74.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.686 ' CD2' HG23 ' A' ' 64' ' ' ILE . 86.6 m-70 -83.04 -46.06 13.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 122.53 175.48 14.72 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.9 p -92.67 -44.16 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 81' ' ' LEU . 4.3 mt-10 -76.53 107.23 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.6 OUTLIER -142.5 179.99 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -131.51 145.14 51.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.4 tt -97.3 117.72 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.56 158.02 57.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 151.28 39.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.45 165.03 13.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.578 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 27.5 m -137.88 139.6 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 p -107.87 132.88 52.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CD2' HG21 ' A' ' 39' ' ' VAL . 2.2 m-85 -107.56 120.56 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -93.87 99.92 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -113.65 143.97 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 18' ' ' THR . 1.2 t -129.77 121.53 27.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.36 105.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 16' ' ' THR . 68.2 p -89.64 63.78 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.3 p -178.77 61.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t70 179.99 143.0 0.36 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 58.94 5.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -164.19 -44.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.413 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 1.7 mm? 67.4 64.34 0.71 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.0 129.45 12.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -118.81 152.16 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 139.61 13.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.0 m -101.49 134.69 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.693 HD23 HG23 ' A' ' 39' ' ' VAL . 30.8 tp -116.2 113.52 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -91.37 125.52 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.505 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.9 m -147.29 158.99 43.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 124.41 8.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 11' ' ' VAL . 44.1 mt-10 -39.77 -47.83 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLU . 2.7 p -39.15 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.596 HG23 ' HD2' ' A' ' 35' ' ' PRO . 19.1 m -80.01 144.76 59.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.03 153.39 41.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.793 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.6 t80 -78.0 -10.05 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.83 -31.77 73.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -73.72 -65.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.693 HG23 HD23 ' A' ' 28' ' ' LEU . 2.0 p -34.41 -48.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.561 HD13 HG13 ' A' ' 56' ' ' ILE . 2.5 tp -44.81 -60.8 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 12.8 mttm -61.79 -58.79 6.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -39.19 -57.65 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.93 -50.8 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -44.81 -54.05 6.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.14 -33.03 68.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -14.92 61.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.413 ' O ' HG13 ' A' ' 49' ' ' VAL . 1.7 m-85 -110.71 3.8 19.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mttt 62.18 27.99 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 32.2 m -110.93 157.33 38.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 134.63 18.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.42 ' HB1' ' HG2' ' A' ' 41' ' ' LYS . . . -83.3 52.23 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.95 -50.37 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.5 p -94.97 41.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -133.44 158.2 43.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.24 130.67 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 HD13 ' A' ' 40' ' ' LEU . 93.4 mt -98.05 130.65 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.861 HD12 ' HA2' ' A' ' 61' ' ' GLY . 6.3 pt -134.29 163.52 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.9 p -84.49 163.56 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -53.27 -32.79 50.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -65.27 -16.65 63.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.861 ' HA2' HD12 ' A' ' 57' ' ' ILE . . . 86.39 48.99 4.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 mm -134.76 137.36 51.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.795 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -57.85 -164.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.503 HG23 ' CD2' ' A' ' 77' ' ' HIS . 5.3 mm -131.28 167.63 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.446 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 5.3 m120 -137.31 104.85 8.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 51.11 2.68 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.73 -15.73 29.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.457 ' HG2' HG23 ' A' ' 73' ' ' VAL . 1.2 pm0 -128.73 -176.15 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.408 ' OG1' ' ND2' ' A' ' 72' ' ' ASN . 61.4 p -70.07 149.31 47.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -47.86 -46.91 31.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.509 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -58.98 -22.93 56.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.408 ' ND2' ' OG1' ' A' ' 69' ' ' THR . 22.3 m-20 -94.8 -14.81 24.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.737 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.457 HG23 ' HG2' ' A' ' 68' ' ' GLN . 40.9 t -94.1 -47.66 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -68.52 -14.19 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.3 tp -91.23 -58.14 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -58.48 -44.93 89.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.503 ' CD2' HG23 ' A' ' 64' ' ' ILE . 92.5 m-70 -84.4 -46.09 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.568 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 119.6 164.59 12.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.4 p -81.69 -38.33 25.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.487 ' O ' HD23 ' A' ' 81' ' ' LEU . 45.6 mt-10 -75.57 105.96 6.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.6 OUTLIER -140.5 167.35 22.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HB3' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -130.0 143.51 50.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 83' ' ' ILE . 11.6 tt -97.67 117.72 42.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -107.48 156.54 37.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.75 5.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -134.81 165.08 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.567 ' HB ' ' CD2' ' A' ' 74' ' ' PHE . 28.6 m -135.59 137.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.561 ' HB2' HG13 ' A' ' 27' ' ' VAL . 2.5 p -113.93 137.6 51.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.04 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.692 ' CE1' ' CE2' ' A' ' 36' ' ' PHE . 14.6 m-85 -105.97 110.62 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HE2' HG22 ' A' ' 27' ' ' VAL . 1.1 ttmm -89.91 95.54 10.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.77 HD12 ' NZ ' ' A' ' 26' ' ' LYS . 17.1 mt -113.24 149.0 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.463 HG21 ' HB3' ' A' ' 23' ' ' LEU . 43.6 m -135.03 125.39 26.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.447 HD12 ' H ' ' A' ' 18' ' ' THR . 48.7 tp -52.51 144.6 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.447 ' H ' HD12 ' A' ' 17' ' ' LEU . 46.7 p -127.78 101.5 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' THR . 4.0 p 163.93 -49.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 110.01 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.32 171.35 6.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.02 -169.47 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' PRO . 27.6 mtp180 37.31 58.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' HB3' HG21 ' A' ' 16' ' ' THR . 4.8 mp -37.29 98.07 0.15 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.99 139.67 24.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -117.64 153.13 33.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.77 ' NZ ' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -142.06 154.5 44.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.561 HG13 ' HB2' ' A' ' 12' ' ' SER . 41.7 t -127.79 99.12 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' CD1' ' HG3' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -91.42 113.38 25.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.484 ' O ' HG13 ' A' ' 30' ' ' VAL . 58.7 p -94.55 132.55 39.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 29' ' ' SER . 35.2 m -156.52 157.78 31.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 122.26 7.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -38.29 -46.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 p -40.48 -38.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.697 HG23 ' HD2' ' A' ' 35' ' ' PRO . 3.0 m -70.57 145.65 92.9 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 110.455 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.697 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.02 160.57 39.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CE2' ' CE1' ' A' ' 13' ' ' PHE . 2.4 t80 -87.71 -10.87 49.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -34.93 77.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -70.21 -66.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.68 HG21 ' CD2' ' A' ' 13' ' ' PHE . 2.2 p -35.93 -42.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.011 HD22 HD12 ' A' ' 56' ' ' ILE . 1.9 tm? -40.46 -53.77 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ALA . 6.0 mttt -69.87 -58.14 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' ALA . 1.2 t80 -41.27 -53.73 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -40.05 -53.22 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.455 ' CA ' HG23 ' A' ' 49' ' ' VAL . . . -45.25 -51.19 11.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -32.61 69.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -66.99 -19.17 65.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 17' ' ' LEU . 10.9 m-85 -112.89 -0.61 14.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mttt 65.72 49.89 1.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.455 HG23 ' CA ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -128.74 161.42 57.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.69 28.09 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.47 54.26 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.77 -52.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 55.4 p -91.23 40.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -138.02 147.03 43.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.623 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . . . -159.95 135.71 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.011 HD12 HD22 ' A' ' 40' ' ' LEU . 51.1 mt -103.64 134.54 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.912 HG22 ' HA2' ' A' ' 63' ' ' GLY . 4.2 pt -136.68 177.16 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.596 HG22 ' HB3' ' A' ' 77' ' ' HIS . 72.3 p -97.72 -178.57 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.8 OUTLIER -80.39 88.85 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 3.4 m-20 159.0 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.34 -30.41 4.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.96 140.4 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.912 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -81.19 -157.21 16.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.582 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 7.7 mm -127.57 149.57 32.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 0.746 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.448 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 8.1 m120 -124.88 103.86 30.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.7 2.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.14 -15.47 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.46 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.7 pm0 -127.22 177.21 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 72' ' ' ASN . 24.9 p -66.28 152.82 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.5 -53.55 11.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.514 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -54.91 -21.89 25.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.1 m-20 -94.79 -18.73 20.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 0.736 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 61.2 t -90.92 -46.68 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.89 -14.48 62.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.533 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.4 tp -91.45 -53.32 4.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.464 ' CG ' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -63.55 -42.22 98.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.596 ' HB3' HG22 ' A' ' 58' ' ' THR . 89.8 m-70 -86.75 -48.29 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.634 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.32 161.22 10.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 p -79.83 -51.97 8.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.18 101.9 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.45 170.26 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -122.07 139.91 53.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 2.1 tt -96.22 116.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.04 155.58 41.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.93 114.1 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.623 ' HD2' ' HB2' ' A' ' 55' ' ' ALA . 1.9 tpt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.31 171.16 12.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.631 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 26.9 m -147.97 140.51 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 p -112.99 124.88 53.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.526 ' CE2' HG22 ' A' ' 30' ' ' VAL . 3.2 m-85 -96.37 117.04 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 95.87 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 81' ' ' LEU . 2.7 mt -110.86 154.6 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 18' ' ' THR . 3.1 m -133.85 112.77 11.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.95 135.61 57.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 16' ' ' THR . 69.6 p -122.44 100.55 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 p 178.36 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -94.08 149.56 37.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 55.53 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -152.33 -45.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 3.3 mp 67.38 64.3 0.71 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.0 146.72 32.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -124.83 149.78 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 0.9 OUTLIER -153.12 133.78 13.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -98.53 126.16 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -101.48 123.04 44.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.41 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 52.3 p -97.64 124.9 42.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.526 HG22 ' CE2' ' A' ' 13' ' ' PHE . 3.3 m -152.1 158.9 33.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.44 17.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' SER . 27.8 mt-10 -40.28 -56.54 1.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -36.06 -63.76 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.559 HG23 ' HD2' ' A' ' 35' ' ' PRO . 1.9 m -39.25 141.57 0.65 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.94 158.44 42.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.545 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.6 t80 -84.47 -11.23 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 4.6 t -62.06 -34.16 75.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -71.29 -66.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 36' ' ' PHE . 2.1 p -35.69 -46.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 1.4 tp -42.89 -62.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.724 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . 5.1 mtpp -61.69 -55.84 26.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.602 ' CD1' HD11 ' A' ' 28' ' ' LEU . 1.3 t80 -41.75 -54.9 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -40.43 -61.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . . . -40.82 -63.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -45.34 -37.79 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -67.59 -37.15 82.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 26' ' ' LYS . 31.4 m-85 -90.79 2.69 55.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.597 ' O ' HG13 ' A' ' 49' ' ' VAL . 0.7 OUTLIER 62.8 69.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -158.5 162.59 26.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.93 6.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.724 ' HB1' ' HA ' ' A' ' 41' ' ' LYS . . . -79.31 -38.11 36.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.9 -40.93 23.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.5 p -105.8 44.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.0 p -125.69 163.24 23.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.62 137.74 11.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 40' ' ' LEU . 97.4 mt -114.46 121.28 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.537 HG22 ' HA2' ' A' ' 63' ' ' GLY . 5.0 pt -117.19 170.22 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -86.47 -169.37 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -93.24 31.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.69 31.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 49.49 49.35 33.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.0 mm -132.66 135.82 56.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.537 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -70.05 -174.88 14.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.589 HG23 ' NE2' ' A' ' 77' ' ' HIS . 61.7 mt -131.93 149.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.4 112.81 23.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.451 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 51.48 2.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.771 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.56 -23.83 39.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -124.08 172.06 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 33' ' ' SER . 42.7 p -55.97 151.46 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.86 -44.01 49.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.64 -24.88 54.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -95.45 -16.47 22.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -89.88 -46.27 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.03 -13.51 61.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.6 tp -91.46 -52.7 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.505 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -64.45 -41.43 96.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.589 ' NE2' HG23 ' A' ' 64' ' ' ILE . 90.8 m-70 -88.42 -48.25 7.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 109.621 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.62 171.9 13.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 p -94.49 -3.3 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.554 ' O ' HD23 ' A' ' 81' ' ' LEU . 41.1 mt-10 -109.24 103.88 12.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -140.33 166.28 25.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -123.38 142.43 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 83' ' ' ILE . 2.8 tt -96.1 109.8 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pp -106.55 156.73 36.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 127.95 11.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -120.94 168.7 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.438 HG11 ' HA2' ' A' ' 71' ' ' GLY . 17.4 m -137.18 122.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 t -98.24 138.49 35.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.643 ' HE1' HG22 ' A' ' 30' ' ' VAL . 6.4 m-85 -113.08 147.06 38.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.19 95.64 4.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 mt -114.11 148.87 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 18' ' ' THR . 17.8 m -125.66 120.84 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.5 tp -56.34 133.19 52.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 16' ' ' THR . 14.1 p -133.71 92.04 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -178.37 -38.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.6 172.5 6.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.94 55.57 3.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.662 ' O ' HD12 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -173.58 -174.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -156.99 64.4 3.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.03 124.35 8.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.539 1.81 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -74.01 155.03 39.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -131.26 145.84 52.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.68 97.93 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.768 HD11 ' HB3' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -91.47 163.02 14.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.29 116.21 9.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.643 HG22 ' HE1' ' A' ' 13' ' ' PHE . 4.7 m -145.87 158.38 49.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.97 128.76 11.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' PRO . 8.3 pt-20 -36.07 -45.33 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.417 ' O ' ' HB ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -50.27 -52.65 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.033 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.699 HG23 ' HD2' ' A' ' 35' ' ' PRO . 3.5 m -48.35 145.78 5.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.699 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.98 150.62 38.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.593 1.839 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.479 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 3.8 t80 -71.04 -25.15 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 t -55.89 -32.85 64.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.11 75.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.592 HG21 ' CZ ' ' A' ' 13' ' ' PHE . 97.5 t -53.08 -38.19 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.426 ' HB2' HD12 ' A' ' 56' ' ' ILE . 11.1 tp -62.33 -63.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -47.09 -48.61 22.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.768 ' HB3' HD11 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -61.29 -60.31 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -43.73 -49.93 7.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.429 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -48.36 -66.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.0 -38.12 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -47.76 80.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 26' ' ' LYS . 8.8 m-85 -84.0 10.83 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.22 60.34 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 1.6 m -134.85 160.81 67.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 135.7 19.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.77 55.35 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.61 -54.63 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.0 p -91.81 32.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -132.33 156.42 46.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.21 152.48 14.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.426 HD12 ' HB2' ' A' ' 40' ' ' LEU . 50.2 mt -110.14 133.47 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.733 HG22 ' HA2' ' A' ' 63' ' ' GLY . 15.7 pt -141.63 160.4 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 1.085 HG22 HD22 ' A' ' 81' ' ' LEU . 20.7 p -91.0 141.53 28.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.415 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 61' ' ' GLY . 7.1 m120 46.93 27.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.609 ' C ' HD12 ' A' ' 57' ' ' ILE . 0.7 OUTLIER 54.57 16.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 59' ' ' ASN . . . -118.34 -87.16 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.82 140.63 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.733 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -86.05 -160.32 33.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.795 HG23 ' CD2' ' A' ' 77' ' ' HIS . 21.4 mt -142.1 144.97 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.62 107.89 42.1 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 52.03 2.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.56 -16.43 34.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.457 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.1 pm0 -127.38 -175.61 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' ASN . 26.1 p -69.56 148.81 48.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.19 -55.68 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.32 -21.15 11.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' THR . 8.1 m-20 -95.5 -19.73 19.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.627 HG13 ' CD2' ' A' ' 77' ' ' HIS . 72.7 t -88.92 -46.61 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.493 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -69.91 -10.87 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tp -92.16 -40.83 10.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.7 OUTLIER -82.08 -28.18 32.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.795 ' CD2' HG23 ' A' ' 64' ' ' ILE . 96.8 m-70 -99.95 -40.38 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 112.35 176.91 19.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.24 -16.1 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -94.85 102.68 14.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.085 HD22 HG22 ' A' ' 58' ' ' THR . 0.5 OUTLIER -141.43 175.42 9.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.8 151.83 51.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.6 tt -98.06 133.78 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.404 HD11 ' HE ' ' A' ' 86' ' ' ARG . 1.4 pp -133.1 156.81 79.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.94 5.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.404 ' HE ' HD11 ' A' ' 84' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -127.52 166.21 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.56 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 30.2 m -141.47 129.24 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.83 122.42 46.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.599 ' CE2' HG22 ' A' ' 30' ' ' VAL . 1.9 m-85 -98.81 118.24 35.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.47 103.14 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.75 156.66 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 24' ' ' PRO . 3.2 m -138.66 127.0 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.439 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.534 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 8.8 tp -63.82 147.84 50.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -129.12 20.29 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.7 p -107.3 -36.13 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.75 145.39 36.81 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.79 3.76 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -150.79 -45.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 4.8 mp 65.81 63.89 0.96 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.598 ' O ' HG23 ' A' ' 16' ' ' THR . 18.1 Cg_endo -75.07 175.52 11.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -131.62 152.77 50.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -160.53 130.4 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.6 m -102.22 127.26 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD13 HG23 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -101.96 116.77 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.435 ' C ' HG13 ' A' ' 30' ' ' VAL . 18.9 p -94.9 122.52 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.599 HG22 ' CE2' ' A' ' 13' ' ' PHE . 5.3 m -152.85 158.21 33.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.98 123.71 8.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -38.44 -46.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 p -40.0 -37.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.959 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.698 HG23 ' HD2' ' A' ' 35' ' ' PRO . 4.0 m -70.43 145.85 93.46 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.698 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -75.02 157.03 42.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.551 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.5 t80 -82.0 -12.16 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.445 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.2 t -61.34 -33.86 74.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -71.74 -67.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 36' ' ' PHE . 2.1 p -35.93 -45.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.676 ' HA ' HD12 ' A' ' 56' ' ' ILE . 5.8 tt -45.26 -66.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -58.72 -54.01 51.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -43.61 -46.84 7.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.5 37.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HA ' HG23 ' A' ' 49' ' ' VAL . . . -47.93 -59.66 3.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -51.69 -35.17 41.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -30.37 71.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 17' ' ' LEU . 10.9 m-85 -95.25 -5.6 43.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 75.39 49.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.438 HG23 ' HA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -136.58 164.65 41.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 138.35 23.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.64 50.32 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.42 -50.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 68.5 p -96.97 44.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.9 m -135.32 153.41 51.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.26 131.85 8.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 40' ' ' LEU . 92.3 mt -102.48 121.74 53.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.78 HG22 ' HA2' ' A' ' 63' ' ' GLY . 7.1 pt -120.93 169.39 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.4 p -85.5 -167.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -92.05 19.41 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -131.23 35.29 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 40.48 57.71 2.66 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.8 mm -139.44 137.23 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.78 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -68.97 -170.47 6.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.68 HG23 ' CD2' ' A' ' 77' ' ' HIS . 17.7 mt -132.3 144.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.441 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.0 t30 -120.77 112.18 33.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.445 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.98 51.74 2.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.35 -15.58 42.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HG2' HG23 ' A' ' 73' ' ' VAL . 1.6 pm0 -130.53 -174.55 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 p -72.9 154.55 40.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.16 -54.29 17.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.499 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.97 -21.56 17.41 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.38 -19.32 20.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 0.807 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' ' 68' ' ' GLN . 17.8 t -89.31 -46.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.499 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -70.32 -10.69 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.7 -44.47 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.557 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -77.95 -30.27 50.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.68 ' CD2' HG23 ' A' ' 64' ' ' ILE . 93.1 m-70 -96.65 -41.54 8.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 117.25 175.81 17.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.0 p -92.98 -36.81 12.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 110.061 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -84.71 107.94 17.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.49 166.64 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -121.79 137.59 54.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 83' ' ' ILE . 4.2 tt -97.35 113.73 32.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -113.44 154.62 45.42 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.03 119.24 5.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -132.37 168.17 18.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.651 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 30.3 m -131.52 127.21 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -99.95 128.02 46.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.651 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 6.9 m-85 -104.26 110.16 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -92.37 95.41 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -108.46 125.8 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.81 ' CG2' HD23 ' A' ' 23' ' ' LEU . 5.1 m -110.88 111.18 22.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.84 142.09 46.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p -117.95 62.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.69 -45.45 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.616 ' O ' HD12 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -100.39 166.94 11.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.21 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -23.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.81 HD23 ' CG2' ' A' ' 16' ' ' THR . 0.3 OUTLIER 49.46 79.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 112.4 3.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -85.88 148.71 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 1.2 tmtm? -124.79 142.45 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -139.54 99.87 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -98.1 145.96 26.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -115.49 112.83 22.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.627 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.3 m -136.1 160.71 66.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.03 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.52 -40.28 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.6 p -54.27 -46.36 72.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.639 HG23 ' HD2' ' A' ' 35' ' ' PRO . 13.6 m -54.27 145.17 37.44 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.0 159.23 41.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.5 t80 -85.03 -9.89 57.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.446 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 2.4 t -65.28 -33.35 75.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -72.38 -65.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 36' ' ' PHE . 2.0 p -34.12 -46.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.27 -68.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 16.4 mttm -47.93 -55.95 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -41.79 -61.39 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -45.0 -59.43 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.607 ' HB1' HG23 ' A' ' 49' ' ' VAL . . . -40.02 -65.9 0.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.4 -50.49 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.97 -48.69 72.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 23.4 m-85 -69.76 -5.71 27.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.68 59.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.607 HG23 ' HB1' ' A' ' 44' ' ' ALA . 35.7 m -136.29 157.56 75.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.27 33.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.41 54.8 2.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.04 -48.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 40.5 p -93.28 43.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 p -136.68 143.26 43.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 86' ' ' ARG . . . -163.16 119.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.1 mt -90.0 118.82 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.569 HG22 ' HA2' ' A' ' 63' ' ' GLY . 27.1 pt -120.1 135.38 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.579 ' HB ' HD22 ' A' ' 81' ' ' LEU . 1.1 t -87.23 170.73 11.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' N ' ' OG1' ' A' ' 58' ' ' THR . 68.1 m-20 -61.43 88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.23 -30.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 50.33 1.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.645 HG22 ' H ' ' A' ' 64' ' ' ILE . 70.9 mt -128.38 117.49 45.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -58.73 -13.95 20.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.744 HG23 ' CD2' ' A' ' 77' ' ' HIS . 9.7 mt 76.23 141.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -118.57 119.43 32.78 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.446 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 51.87 2.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.29 -24.94 31.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -121.39 -174.5 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' ASN . 30.2 p -73.66 151.32 40.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.97 -52.75 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.517 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -55.98 -21.92 32.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' THR . 17.2 m-20 -95.2 -17.32 21.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 77.1 t -92.1 -46.69 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.517 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -69.47 -10.93 60.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.963 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.8 -48.55 6.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.3 ptpt -72.59 -29.05 63.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.744 ' CD2' HG23 ' A' ' 64' ' ' ILE . 94.4 m-70 -99.55 -50.62 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.593 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 126.47 173.22 13.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.1 p -88.57 -37.54 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.783 . . . . 0.0 110.007 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.931 ' O ' HD23 ' A' ' 81' ' ' LEU . 25.4 mt-10 -85.83 120.0 26.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.931 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -147.86 169.39 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.93 134.26 55.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 83' ' ' ILE . 6.2 tt -95.61 113.66 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -108.1 156.46 38.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.98 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.655 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 4.0 tpt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.59 165.38 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.551 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 3.8 m -136.07 133.43 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 p -100.71 134.25 43.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 8.2 m-85 -114.89 131.84 56.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 95.44 5.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -112.25 147.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 m -131.33 125.44 32.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -61.27 109.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.45 HG21 ' HB3' ' A' ' 82' ' ' ARG . 13.5 p -94.37 75.92 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.0 p -155.25 -66.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.955 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.07 149.84 87.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 74.12 4.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -160.14 -43.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 66.72 66.02 0.72 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.72 6.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -82.79 153.77 25.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.93 145.44 48.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.7 t -133.33 95.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.59 HD11 ' CE1' ' A' ' 42' ' ' PHE . 14.6 tp -97.69 144.24 27.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.07 120.14 32.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 110.04 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG22 ' HE1' ' A' ' 13' ' ' PHE . 3.0 m -146.91 158.95 44.57 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.71 8.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 34' ' ' THR . 14.6 pt-20 -39.24 -45.46 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.9 p -39.12 -30.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.5 HG23 ' HD2' ' A' ' 35' ' ' PRO . 53.7 m -81.38 144.02 52.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.93 160.21 40.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.28 -36.82 58.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 t -43.89 -35.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.424 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.12 -47.09 63.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.0 t -41.36 -43.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.629 ' C ' HD13 ' A' ' 40' ' ' LEU . 2.3 tm? -46.18 -70.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.713 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 36.2 mttt -42.12 -61.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -47.29 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.97 -26.38 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -73.65 -69.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.88 -34.73 9.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.31 -37.26 84.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.495 ' HB3' HG13 ' A' ' 49' ' ' VAL . 3.4 m-85 -91.74 4.59 52.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 66.21 21.93 11.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.495 HG13 ' HB3' ' A' ' 47' ' ' PHE . 15.7 m -101.87 157.36 33.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.19 24.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.416 1.745 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.33 41.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.81 -52.67 1.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.6 p -104.03 45.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -138.55 134.88 34.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.23 163.9 31.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.729 HG22 HD12 ' A' ' 64' ' ' ILE . 8.1 mt -114.59 126.88 72.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.5 pt -119.97 157.52 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' GLY . 5.9 t -112.92 170.04 8.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.417 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 12.9 m120 -39.54 136.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 0.4 OUTLIER 76.85 9.18 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' THR . . . 40.34 48.64 3.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -87.87 13.3 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.47 171.95 2.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.849 HG23 ' CG ' ' A' ' 77' ' ' HIS . 26.6 mt -131.77 140.78 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.463 ' H ' ' CE1' ' A' ' 77' ' ' HIS . 2.4 t30 -114.89 106.48 51.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.57 2.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.93 -10.97 56.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.491 ' HG2' HG22 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -130.11 170.4 14.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 72' ' ' ASN . 43.9 p -56.68 149.53 17.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -47.0 -49.33 21.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.443 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -56.71 -23.71 45.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' THR . 2.4 m-20 -95.94 -17.34 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.491 HG22 ' HG2' ' A' ' 68' ' ' GLN . 71.7 t -89.77 -47.07 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.491 ' CZ ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.11 -12.93 62.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -91.28 -62.04 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.572 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -56.06 -56.62 18.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.849 ' CG ' HG23 ' A' ' 64' ' ' ILE . 83.9 m-70 -71.02 -46.21 62.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.508 ' O ' HD21 ' A' ' 81' ' ' LEU . . . 122.24 147.87 7.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 t -69.77 -44.24 70.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -77.06 102.66 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.508 HD21 ' O ' ' A' ' 78' ' ' GLY . 0.3 OUTLIER -132.84 175.55 9.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.45 ' HB3' HG21 ' A' ' 18' ' ' THR . 1.0 OUTLIER -124.62 137.66 54.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.439 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 6.1 tt -96.21 114.31 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.67 154.26 44.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.25 7.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -140.51 164.33 30.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -108.33 119.28 39.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.19 119.21 0.48 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.33 119.02 17.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.38 90.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.2 p -105.83 -53.07 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.365 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -178.54 -63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.62 109.59 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.032 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -123.84 171.11 9.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.478 HG11 ' HA2' ' A' ' 71' ' ' GLY . 5.2 m -145.55 120.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.4 p -96.28 149.62 21.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 36' ' ' PHE . 2.3 m-85 -125.45 149.2 48.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.33 96.4 4.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.19 136.68 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 24' ' ' PRO . 12.9 m -116.26 137.26 52.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.762 HD13 ' CD2' ' A' ' 47' ' ' PHE . 8.0 tp -72.54 109.74 6.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.8 p -90.18 37.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.8 p -113.84 -35.05 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.67 154.87 37.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -0.43 9.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 mtm105 -95.96 -23.88 16.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.341 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.18 69.25 2.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' A' ' 16' ' ' THR . 18.2 Cg_endo -75.03 148.28 34.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -125.07 161.54 26.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.21 129.2 8.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 t -91.61 116.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 29' ' ' SER . 25.9 tp -97.66 159.03 15.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.431 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 92.8 p -141.45 117.98 10.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG22 ' HE1' ' A' ' 13' ' ' PHE . 1.3 m -150.79 160.85 31.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.97 121.32 6.52 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 31' ' ' PRO . 7.7 pt-20 -37.22 -46.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 32' ' ' GLU . 8.9 t -38.06 -38.33 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.762 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.4 m -66.4 146.63 99.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.762 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.96 134.25 17.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 3.9 t80 -58.83 -14.87 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.455 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -65.02 -30.72 71.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.383 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.46 -36.4 68.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.6 t -51.56 -32.96 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.534 ' HA ' HD11 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -62.05 -66.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 11.2 mtpt -42.37 -48.41 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.74 -55.1 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.7 -22.74 37.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.6 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -77.65 -72.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.35 -33.8 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.51 -39.88 74.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.762 ' CD2' HD13 ' A' ' 17' ' ' LEU . 17.6 m-85 -96.11 8.97 42.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 60.95 41.35 14.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 44' ' ' ALA . 26.9 m -114.89 157.54 42.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.91 13.72 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.432 1.754 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.51 46.9 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.51 -49.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.7 p -104.45 39.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.95 149.98 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.25 152.2 16.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.534 HD11 ' HA ' ' A' ' 40' ' ' LEU . 6.7 mt -97.48 136.35 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.562 HG22 ' HA2' ' A' ' 63' ' ' GLY . 10.2 pt -131.42 168.97 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.3 p -85.73 -170.21 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -93.82 27.77 2.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.21 19.22 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.65 21.36 60.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.5 mt -103.9 137.83 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -69.52 -170.17 7.27 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.761 HG23 ' NE2' ' A' ' 77' ' ' HIS . 65.2 mt -138.36 144.92 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.451 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 50.1 m-80 -116.45 107.19 47.42 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.455 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.04 51.69 2.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -93.09 20.04 7.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER -162.69 171.27 17.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 72.5 p -56.67 145.15 29.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.5 -41.06 28.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.53 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -60.01 -23.35 59.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -94.94 -17.59 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 68.8 t -91.21 -46.27 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.53 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -71.31 -14.25 62.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.8 tp -91.31 -51.15 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -64.94 -41.96 95.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.761 ' NE2' HG23 ' A' ' 64' ' ' ILE . 94.4 m-70 -88.24 -49.11 7.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 127.11 178.33 15.27 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 p -94.28 -46.65 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -72.95 102.6 3.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.0 173.63 11.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.81 145.35 51.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.45 HG21 HD12 ' A' ' 17' ' ' LEU . 5.6 tt -95.44 118.0 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 85' ' ' PRO . 1.9 pp -116.78 156.87 47.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.594 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.2 Cg_endo -75.02 144.57 30.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.447 1.762 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -118.35 149.14 41.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -152.73 126.56 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -83.71 -53.07 5.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.03 134.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.11 -136.16 12.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.48 -63.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 0.811 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 108.267 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 p -167.27 160.69 13.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 0.736 . . . . 0.0 110.017 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.62 -55.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.61 176.72 29.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.38 69.88 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -160.26 152.73 20.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 m -122.5 97.7 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.382 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.21 98.33 7.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.26 103.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -132.99 177.44 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.654 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 15.4 m -149.21 132.64 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.5 p -101.74 139.96 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.654 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 5.6 m-85 -119.61 119.97 35.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -98.41 96.05 7.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 mt -112.69 148.24 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 18' ' ' THR . 11.9 m -126.01 106.77 9.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -50.4 116.79 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 16' ' ' THR . 49.1 p -100.71 104.47 15.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.37 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 p -175.77 -73.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.6 156.16 89.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.11 4.16 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.443 1.76 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.77 -50.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.7 mp 64.0 65.25 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.44 42.73 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -125.9 155.45 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.556 ' HZ2' ' HB2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -145.3 139.01 26.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.4 104.26 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.575 HD11 ' CE1' ' A' ' 42' ' ' PHE . 23.7 tp -92.46 160.64 14.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.41 121.27 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.594 HG22 ' HE1' ' A' ' 13' ' ' PHE . 2.5 m -149.66 157.39 38.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.01 7.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' THR . 11.9 pt-20 -39.02 -45.38 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' GLU . 37.1 p -38.86 -30.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.63 HG23 ' HD2' ' A' ' 35' ' ' PRO . 15.6 m -79.62 145.08 62.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.362 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.0 131.31 14.15 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.435 ' HA ' HG23 ' A' ' 39' ' ' VAL . 3.9 t80 -50.07 -23.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.66 -25.53 60.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.454 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.05 49.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 36' ' ' PHE . 66.4 t -56.59 -62.41 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -45.81 -46.06 15.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -61.09 -42.98 99.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.4 t80 -67.19 -53.01 34.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.442 ' HB2' ' HZ1' ' A' ' 26' ' ' LYS . . . -48.54 -37.31 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.509 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -60.45 -51.6 68.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -61.72 -16.52 49.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -37.58 18.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.964 ' O ' HG13 ' A' ' 49' ' ' VAL . 44.7 m-85 -94.87 25.7 3.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 42.33 48.16 4.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.964 HG13 ' O ' ' A' ' 47' ' ' PHE . 34.8 m -130.58 157.52 77.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.97 22.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.68 49.17 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.02 -49.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.2 p -93.86 36.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.1 p -129.45 157.83 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ILE . . . -161.87 152.31 17.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.572 HG22 HD12 ' A' ' 64' ' ' ILE . 74.1 mt -118.06 140.62 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 pt -136.59 179.31 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.5 p -98.43 -166.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -95.13 37.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.37 20.06 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.9 55.95 21.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.969 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.491 HG22 ' H ' ' A' ' 63' ' ' GLY . 1.5 mt -119.89 -140.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 62' ' ' ILE . . . -161.87 121.57 1.03 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.916 HG23 ' CD2' ' A' ' 77' ' ' HIS . 59.1 mt -66.17 146.91 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -116.18 106.84 48.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 51.81 2.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.49 -25.67 23.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.3 pm0 -119.99 167.85 11.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.5 p -51.15 148.55 4.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.49 -48.06 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -58.1 -22.9 50.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -95.4 -16.02 22.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG1' ' CG2' ' A' ' 64' ' ' ILE . 74.6 t -92.11 -46.28 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.5 ' O ' ' CA ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -71.02 -11.04 60.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 tp -91.68 -45.14 8.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -74.51 -27.39 60.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.916 ' CD2' HG23 ' A' ' 64' ' ' ILE . 96.8 m-70 -102.27 -51.58 3.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.639 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.92 176.24 14.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.19 -33.64 15.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -83.87 105.01 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.91 166.24 25.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -119.09 135.75 54.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.3 tt -96.7 126.31 49.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 55' ' ' ALA . 2.0 pp -121.2 156.82 56.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.47 9.33 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -40.21 145.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -88.93 -50.59 6.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 44.31 65.41 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 p -116.84 -42.17 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -169.5 147.3 10.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.18 -58.39 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.8 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 108.309 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.68 89.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -158.34 -59.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.8 81.17 0.25 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.8 74.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -133.49 86.7 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.5 p -135.65 142.57 45.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.8 ttp -166.94 91.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.5 p -177.95 84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -113.8 161.2 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.62 HG11 ' CE1' ' A' ' 74' ' ' PHE . 27.2 m -135.81 136.17 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 p -105.85 127.28 53.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.615 ' CE1' HG22 ' A' ' 30' ' ' VAL . 4.3 m-85 -100.25 121.72 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.77 95.33 7.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -120.73 154.97 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -129.61 133.17 47.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.747 ' O ' HD13 ' A' ' 23' ' ' LEU . 6.1 tp -68.86 139.67 55.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.415 ' O ' ' CB ' ' A' ' 19' ' ' SER . 7.7 p -127.77 115.88 19.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 18' ' ' THR . 2.1 p 165.14 -31.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.04 154.14 45.11 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 55.64 3.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.6 -45.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.747 HD13 ' O ' ' A' ' 17' ' ' LEU . 4.0 mm? 61.75 64.48 1.96 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.502 ' CG ' HD23 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.98 138.95 23.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -123.56 152.22 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.23 137.35 9.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 m -96.77 122.37 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.536 HD11 ' CG ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -98.58 125.72 43.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -100.31 117.06 33.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.615 HG22 ' CE1' ' A' ' 13' ' ' PHE . 2.3 m -142.23 160.86 53.31 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.06 21.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.475 ' HG2' HG13 ' A' ' 11' ' ' VAL . 45.0 mt-10 -48.43 -57.52 5.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' GLU . 22.9 t -36.65 -59.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.669 HG23 ' HD2' ' A' ' 35' ' ' PRO . 3.8 m -43.68 145.72 1.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.05 146.34 32.36 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.612 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 4.3 t80 -66.76 -20.4 65.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -58.12 -35.56 71.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.433 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.25 -41.53 89.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 97.2 t -48.04 -30.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.74 -64.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 4.3 mtpp -51.44 -52.87 42.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.536 ' CG ' HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -55.23 -60.28 3.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 39' ' ' VAL . . . -48.63 -45.11 37.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.51 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -49.62 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -43.68 -48.94 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -52.45 59.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -76.49 -3.95 40.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mttm 58.65 67.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.51 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 2.5 m -135.46 160.4 68.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 142.29 27.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.03 52.76 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.32 -52.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 11.4 p -102.08 52.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.419 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.5 p -140.9 137.26 33.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' ILE . . . -163.16 144.79 9.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.1 mt -107.23 133.9 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 2.9 pt -134.41 171.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 p -83.28 -169.33 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -96.32 34.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.567 ' HB3' HD11 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -147.66 27.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.61 78.98 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.567 HD11 ' HB3' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -144.77 -147.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.488 0.758 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.68 113.67 0.58 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.808 HG23 ' CD2' ' A' ' 77' ' ' HIS . 35.9 mt -59.52 142.96 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -107.61 106.51 58.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 51.7 2.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.17 -32.32 21.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.458 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.05 174.67 5.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' ASN . 31.8 p -60.54 151.26 29.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.24 -51.57 18.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.552 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.47 -22.22 37.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' THR . 80.1 m-20 -95.03 -15.83 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 68.9 t -93.58 -46.18 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.62 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.45 -15.3 62.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 3.3 tp -89.31 -48.85 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.536 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -65.7 -43.33 89.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.808 ' CD2' HG23 ' A' ' 64' ' ' ILE . 92.1 m-70 -86.7 -49.77 7.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.497 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 126.34 178.71 15.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.5 p -99.91 8.19 44.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.925 ' O ' HD23 ' A' ' 81' ' ' LEU . 7.5 mt-10 -119.45 106.69 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.925 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -147.24 170.74 16.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.1 mtt-85 -125.23 142.52 51.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 83' ' ' ILE . 7.5 tt -96.31 110.63 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.9 pp -104.66 156.6 35.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.96 112.43 3.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.556 1.819 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -61.44 104.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.1 101.17 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.76 -49.65 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.8 p -93.54 141.7 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 72.12 -167.7 52.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.71 -59.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.2 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.352 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.69 87.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 110.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -154.53 159.46 40.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.62 106.0 0.2 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.17 -57.54 9.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 54.23 91.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.3 p -46.63 170.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.04 97.76 5.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.2 t -177.45 120.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.044 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -126.27 153.87 44.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.435 HG12 ' CZ ' ' A' ' 74' ' ' PHE . 9.7 m -118.96 125.77 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.5 p -98.77 126.51 44.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CE2' ' CE2' ' A' ' 36' ' ' PHE . 5.2 m-85 -101.16 167.31 10.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.12 99.92 3.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -118.91 153.21 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 24' ' ' PRO . 1.2 m -138.73 140.92 38.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.698 HD13 ' CD1' ' A' ' 47' ' ' PHE . 2.5 tp -65.81 138.82 58.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.9 p -103.55 -35.06 8.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.9 t -57.22 -87.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -47.36 157.12 0.56 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -75.0 -165.72 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 69.6 -58.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 78.75 71.99 0.17 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.677 ' O ' HG23 ' A' ' 16' ' ' THR . 18.3 Cg_endo -75.02 165.71 30.7 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -131.66 156.43 45.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' HZ2' ' HG ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -155.05 130.66 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 t -98.33 121.92 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.584 HD21 ' CE1' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -93.25 162.78 13.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.401 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -141.46 109.52 5.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG22 ' HE1' ' A' ' 13' ' ' PHE . 1.3 m -142.96 161.96 45.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.97 122.38 7.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' PRO . 14.8 pt-20 -36.64 -46.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t -43.47 -48.79 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.72 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -56.66 146.26 57.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.72 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.92 158.76 42.31 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.584 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 2.1 t80 -79.31 -9.15 59.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 t -69.93 -35.93 74.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.18 -21.16 56.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.518 HG13 HD13 ' A' ' 28' ' ' LEU . 82.2 t -68.07 -43.77 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.493 HD12 HG13 ' A' ' 56' ' ' ILE . 1.6 tt -49.52 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -45.33 -58.97 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.584 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.3 t80 -48.51 -47.06 39.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -58.72 -70.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.18 -35.74 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.45 -46.68 88.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -62.86 -47.99 80.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.698 ' CD1' HD13 ' A' ' 17' ' ' LEU . 39.1 m-85 -65.43 -16.42 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 71.56 62.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.37 161.25 39.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.48 12.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.45 -13.23 57.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.64 81.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 p -118.28 37.99 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 p -121.34 155.91 33.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.656 ' HB2' ' HG3' ' A' ' 86' ' ' ARG . . . -162.5 151.27 14.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.493 HG13 HD12 ' A' ' 40' ' ' LEU . 79.1 mt -116.14 139.72 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.401 HD12 ' HA2' ' A' ' 61' ' ' GLY . 9.3 pt -142.11 170.05 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.955 HG22 HD22 ' A' ' 81' ' ' LEU . 71.8 p -103.26 -166.32 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 1.7 m-20 -72.42 153.94 41.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.532 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 7.1 t0 84.82 -48.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' HA2' HD12 ' A' ' 57' ' ' ILE . . . 128.96 55.98 0.11 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.8 mm -119.61 122.39 68.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.42 -163.85 2.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.095 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.96 HG23 ' CD2' ' A' ' 77' ' ' HIS . 7.4 mt -135.9 145.37 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.71 103.57 55.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.63 2.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.97 -21.95 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -121.71 171.7 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.413 ' O ' HG23 ' A' ' 73' ' ' VAL . 67.8 p -59.42 151.98 22.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.32 -48.14 25.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.46 -23.91 50.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' THR . 43.5 m-20 -95.27 -14.16 24.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.438 ' CG1' ' CG2' ' A' ' 64' ' ' ILE . 75.7 t -93.7 -45.55 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.491 ' O ' ' CA ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -72.63 -14.06 61.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.9 tp -90.14 -40.84 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.5 OUTLIER -74.51 -41.64 60.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.96 ' CD2' HG23 ' A' ' 64' ' ' ILE . 96.0 m-70 -90.32 -50.49 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 129.83 -169.83 20.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.7 p -102.31 -34.11 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -83.62 104.83 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.345 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.955 HD22 HG22 ' A' ' 58' ' ' THR . 0.8 OUTLIER -136.82 165.97 24.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -121.23 139.83 52.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.471 HG23 ' O ' ' A' ' 83' ' ' ILE . 3.1 tt -96.95 112.1 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.2 pp -111.06 156.5 40.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.79 8.14 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.506 1.792 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.656 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -73.92 107.55 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.46 97.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -67.22 -49.84 63.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.6 m -78.89 166.02 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.97 -177.66 18.28 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.533 1.145 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.2 -58.68 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 p -53.9 156.02 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -146.47 146.95 30.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.9 151.0 9.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -174.95 141.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.55 166.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 m 62.94 140.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 mtm 61.04 166.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -148.33 123.99 10.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -109.98 166.8 10.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.697 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 6.1 m -135.53 124.0 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.2 p -91.02 135.03 34.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.697 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 4.2 m-85 -114.25 125.34 53.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.9 95.43 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mt -110.45 159.2 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.661 HG21 HD23 ' A' ' 23' ' ' LEU . 2.6 m -134.7 137.07 43.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 tp -81.77 122.58 27.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.5 p -104.86 68.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.2 p -139.5 -70.12 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.98 153.55 86.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.56 5.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.53 -47.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.661 HD23 HG21 ' A' ' 16' ' ' THR . 0.7 OUTLIER 66.93 64.43 0.76 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -74.94 127.79 11.01 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 5.1 p90 -80.64 153.11 28.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -131.66 143.87 50.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 t -133.45 98.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.667 HD11 ' CE1' ' A' ' 42' ' ' PHE . 26.2 tp -97.54 149.27 22.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.58 111.67 15.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.649 HG22 ' CE1' ' A' ' 13' ' ' PHE . 1.8 m -137.83 160.96 62.64 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.99 126.34 9.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' PRO . 12.1 pt-20 -35.36 -47.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.415 ' O ' ' HB ' ' A' ' 69' ' ' THR . 0.9 OUTLIER -44.79 -56.88 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -44.76 141.84 2.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 34' ' ' THR . 18.2 Cg_endo -74.97 148.71 35.78 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.465 1.771 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CE2' ' CD2' ' A' ' 13' ' ' PHE . 2.5 t80 -71.84 -8.51 54.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 t -69.98 -35.27 74.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.64 -33.39 66.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.39 -47.4 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -48.59 -59.53 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -62.43 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.667 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.4 t80 -43.0 -52.13 5.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.85 -61.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' PHE . . . -42.07 -66.46 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.31 -34.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CB ' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -71.96 -43.59 64.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 26' ' ' LYS . 8.9 m-85 -83.41 9.61 10.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' O ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER 54.18 73.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -155.2 163.95 22.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.6 10.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.43 49.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.66 -49.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.3 p -95.89 48.09 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -135.29 164.9 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' A' ' 86' ' ' ARG . . . -162.54 153.36 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.871 HG22 HD12 ' A' ' 64' ' ' ILE . 54.2 mt -115.55 143.85 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.414 HG22 ' HA2' ' A' ' 63' ' ' GLY . 3.0 pt -147.55 173.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.356 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.8 p -104.76 166.03 10.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 71.6 m-80 -65.41 87.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER 159.3 -27.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.68 -35.14 3.39 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.5 mm -46.47 132.27 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -84.23 -166.56 41.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.878 HG23 ' CD2' ' A' ' 77' ' ' HIS . 39.4 mt -133.76 145.85 32.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -119.84 114.07 34.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 51.7 2.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.86 -27.74 30.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.449 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.9 OUTLIER -117.42 177.29 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 33' ' ' SER . 32.4 p -63.94 158.81 21.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -51.07 -53.6 32.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.57 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.8 -20.53 33.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -94.91 -17.25 22.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 42.3 t -93.92 -45.86 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.611 ' CZ ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.34 -13.05 62.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.072 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.28 -46.13 8.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -68.19 -42.08 80.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.878 ' CD2' HG23 ' A' ' 64' ' ' ILE . 92.1 m-70 -89.72 -48.61 7.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.52 -178.25 16.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 p -101.45 3.89 40.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.918 ' O ' HD23 ' A' ' 81' ' ' LEU . 49.9 mt-10 -118.86 108.65 15.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.918 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -146.74 -177.05 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 146.26 49.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 83' ' ' ILE . 6.3 tt -103.94 109.07 26.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 85' ' ' PRO . 0.9 OUTLIER -109.22 154.77 41.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.576 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.6 Cg_endo -74.93 134.87 18.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.414 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 4.2 ttm-85 -163.76 132.12 3.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -128.52 106.71 9.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -86.22 -60.32 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.248 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 90' ' ' GLY . 8.0 p -163.47 -51.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.481 ' N ' HG13 ' A' ' 89' ' ' VAL . . . 82.92 146.94 6.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 t -147.21 114.57 6.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 108.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.05 123.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 110.062 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -109.13 -58.84 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.8 156.76 30.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.92 94.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.12 176.61 9.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -59.82 97.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -41.03 123.58 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.8 p -176.76 101.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -132.5 172.29 12.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.694 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 17.7 m -146.92 127.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.19 124.3 47.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.04 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.694 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 0.4 OUTLIER -103.52 130.91 51.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.959 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -95.84 95.37 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.9 mt -109.78 151.16 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.687 ' CG2' HD12 ' A' ' 23' ' ' LEU . 1.3 m -131.71 114.44 14.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.726 HD11 ' OG ' ' A' ' 19' ' ' SER . 10.5 tp -61.02 131.07 49.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 16' ' ' THR . 59.2 p -128.89 60.89 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.726 ' OG ' HD11 ' A' ' 17' ' ' LEU . 59.8 p -147.97 56.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 19' ' ' SER . 0.4 OUTLIER 163.4 172.15 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.463 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.1 Cg_endo -75.0 56.5 4.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.502 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -172.83 158.24 3.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.687 HD12 ' CG2' ' A' ' 16' ' ' THR . 2.7 mm? -133.15 66.5 75.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 144.29 30.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -123.47 153.18 40.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.482 ' CE ' ' HA ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -160.47 133.86 6.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.9 m -100.18 121.78 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.484 HD11 ' CE2' ' A' ' 42' ' ' PHE . 6.7 tp -103.26 124.62 48.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.71 121.92 44.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.986 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.619 HG22 ' HE1' ' A' ' 13' ' ' PHE . 15.5 m -141.4 158.25 64.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.9 8.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.47 ' O ' ' HB ' ' A' ' 69' ' ' THR . 17.1 pt-20 -39.07 -44.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' GLU . 6.2 t -38.47 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.737 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.4 m -86.65 146.58 41.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.478 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.737 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.5 Cg_endo -74.95 142.59 28.19 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.442 ' CE2' ' CD2' ' A' ' 13' ' ' PHE . 6.9 t80 -59.74 -13.92 12.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.447 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.2 t -68.15 -29.27 68.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.52 -27.12 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.467 HG13 HD23 ' A' ' 28' ' ' LEU . 69.9 t -62.01 -45.1 99.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.517 ' HB2' HD12 ' A' ' 56' ' ' ILE . 0.7 OUTLIER -52.82 -66.47 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.95 -59.59 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.484 ' CE2' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -49.32 -59.51 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.482 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -45.22 -63.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.603 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . . . -43.66 -61.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -51.31 -41.34 60.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' CB ' ' HE2' ' A' ' 26' ' ' LYS . 5.8 mm-40 -65.75 -20.46 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.478 ' O ' HG13 ' A' ' 49' ' ' VAL . 6.3 m-85 -102.25 3.62 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.24 44.08 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 47' ' ' PHE . 16.2 m -134.37 156.96 78.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 123.51 7.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -82.38 -14.87 54.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.58 -39.77 77.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.5 p -112.04 40.57 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.2 p -119.49 155.38 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.952 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.17 149.57 23.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.517 HD12 ' HB2' ' A' ' 40' ' ' LEU . 25.9 mt -120.07 143.82 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 pt -144.52 163.06 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 p -90.25 156.76 18.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -61.72 88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 166.06 -30.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.83 31.5 3.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 62' ' ' ILE . 21.1 mm -112.01 130.99 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.39 -167.11 4.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.906 HG23 ' CD2' ' A' ' 77' ' ' HIS . 12.6 mt -138.11 146.65 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.43 103.57 54.02 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.0 51.74 2.87 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.13 -6.71 27.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -131.81 170.72 14.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 19.3 p -58.94 147.07 35.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.06 -45.65 32.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.646 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -60.17 -22.57 58.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.5 m-20 -95.1 -14.63 24.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 42.1 t -93.88 -46.72 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.495 ' O ' ' CA ' ' A' ' 78' ' ' GLY . 0.1 OUTLIER -70.11 -10.84 60.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.63 -48.19 6.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.0 ptpt -72.29 -29.27 63.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.906 ' CD2' HG23 ' A' ' 64' ' ' ILE . 96.3 m-70 -99.43 -50.61 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.601 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.01 -174.55 17.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 p -102.07 -36.78 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.663 ' O ' HD23 ' A' ' 81' ' ' LEU . 6.9 mt-10 -76.39 101.97 5.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.7 OUTLIER -142.08 160.7 39.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -117.17 138.75 51.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 83' ' ' ILE . 8.1 tt -95.95 104.99 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -105.63 154.11 39.43 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 131.86 14.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.539 1.81 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -43.24 -58.82 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.2 t70 63.81 94.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -60.84 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 89' ' ' VAL . 11.9 p -173.74 64.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 173.13 139.73 2.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -93.29 -68.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -49.84 168.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 110.046 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -94.08 131.08 39.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.22 117.55 1.24 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 64.52 109.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 73.94 2.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.7 p -120.54 108.21 13.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.379 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.7 124.69 44.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.9 p -140.11 94.13 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -126.85 166.83 16.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.566 ' HB ' ' CE2' ' A' ' 74' ' ' PHE . 14.9 m -132.09 150.37 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.7 p -116.29 126.38 53.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' CE2' HG22 ' A' ' 30' ' ' VAL . 16.4 m-85 -102.12 121.67 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.62 95.39 6.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' LYS . 3.9 mt -121.39 145.07 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.1 m -123.8 131.71 53.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.553 ' O ' HD13 ' A' ' 23' ' ' LEU . 5.9 tp -64.76 127.94 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.401 HG22 HD11 ' A' ' 23' ' ' LEU . 17.9 p -110.79 92.96 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.4 p -170.64 -64.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.07 153.47 74.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 69.65 5.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.05 -44.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.342 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 17' ' ' LEU . 2.5 mm? 59.28 64.32 3.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.0 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -71.61 154.04 41.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HZ1' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -130.65 147.92 52.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 t -137.69 95.96 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.811 HD21 ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -93.97 137.13 33.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -112.69 115.41 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.588 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.5 m -145.29 161.12 43.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.77 38.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.469 ' HG2' ' CG1' ' A' ' 11' ' ' VAL . 44.6 mt-10 -55.16 -57.87 9.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -37.98 -59.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.052 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -39.29 144.52 0.45 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.05 157.57 42.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.451 1.763 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.433 ' HE1' HD13 ' A' ' 56' ' ' ILE . 4.6 t80 -83.56 -39.06 20.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.9 t -43.17 -34.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.64 -48.02 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.9 t -40.9 -38.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.65 ' C ' HD13 ' A' ' 40' ' ' LEU . 1.6 tm? -55.4 -62.16 1.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.36 -57.67 9.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.811 ' CE1' HD21 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -49.46 -46.71 48.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.09 -58.21 9.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.42 ' HA ' HG23 ' A' ' 49' ' ' VAL . . . -47.98 -54.99 11.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.97 -23.44 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' CG ' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -78.95 -39.95 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 26' ' ' LYS . 20.0 m-85 -89.87 16.13 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.56 61.63 3.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG23 ' HA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -140.85 163.8 40.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.28 20.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.536 1.809 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.21 53.15 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.05 -54.71 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 20.4 p -90.42 40.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.457 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -140.97 151.06 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HB2' ' HG3' ' A' ' 86' ' ' ARG . . . -161.8 165.98 27.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 64' ' ' ILE . 29.5 mt -116.74 140.0 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.4 pt -137.05 163.52 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 62' ' ' ILE . 71.8 p -81.28 164.05 22.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -59.21 -42.33 90.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -19.94 38.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.59 53.2 2.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 58' ' ' THR . 64.3 mt -138.57 138.88 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.46 169.98 3.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.789 HG23 ' CD2' ' A' ' 77' ' ' HIS . 55.5 mt -119.65 142.87 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.34 103.8 53.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 51.46 2.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.6 -22.36 32.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.7 OUTLIER -115.96 178.46 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' ASN . 71.9 p -65.34 150.99 47.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.98 -50.76 18.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.453 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.18 -22.6 44.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.5 m-80 -95.77 -15.26 22.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 54.2 t -93.27 -47.17 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CE2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -67.85 -13.02 61.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.43 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -90.72 -59.58 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.552 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -58.17 -57.21 13.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.789 ' CD2' HG23 ' A' ' 64' ' ' ILE . 88.8 m-70 -71.81 -47.79 50.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.564 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.488 ' O ' HD11 ' A' ' 81' ' ' LEU . . . 122.83 156.56 9.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.3 p -77.86 -47.02 19.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 0.805 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -72.96 106.19 4.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.488 HD11 ' O ' ' A' ' 78' ' ' GLY . 0.5 OUTLIER -139.18 176.97 8.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -123.82 144.75 49.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 83' ' ' ILE . 13.7 tt -96.75 111.83 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -109.65 156.66 39.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -74.97 131.35 14.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.561 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -78.22 135.46 37.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -113.21 96.08 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.458 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -118.97 56.82 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 92.0 t 63.28 143.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.62 -149.06 19.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.6 p -113.68 98.38 7.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.334 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m 61.77 155.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 110.007 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -73.94 155.13 38.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.48 134.16 7.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -109.58 116.74 32.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 0.79 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.71 108.94 19.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.9 p -110.13 -51.15 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.2 ttt 179.98 -50.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.8 p -67.71 99.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -132.49 159.14 40.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.583 HG11 ' HA2' ' A' ' 71' ' ' GLY . 34.7 m -120.07 147.95 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.445 ' HB2' HG23 ' A' ' 27' ' ' VAL . 3.9 p -120.07 134.0 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.508 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 7.9 m-85 -111.59 110.76 21.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -95.19 99.25 11.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -112.15 155.18 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 24' ' ' PRO . 34.4 m -136.22 118.46 15.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.459 HD12 ' H ' ' A' ' 18' ' ' THR . 6.6 tp -54.29 148.24 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.459 ' H ' HD12 ' A' ' 17' ' ' LEU . 79.0 p -123.38 89.99 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 p -169.08 -58.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.046 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.12 168.28 22.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.246 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -36.07 2.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.781 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -95.55 63.93 2.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 16' ' ' THR . 1.8 mp -39.2 99.61 0.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.739 ' O ' HG23 ' A' ' 16' ' ' THR . 18.3 Cg_endo -75.02 158.47 42.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -116.46 154.6 30.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.603 ' NZ ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -148.7 129.97 14.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 12' ' ' SER . 0.2 OUTLIER -117.79 116.44 51.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD12 ' NZ ' ' A' ' 26' ' ' LYS . 1.7 mt -91.5 173.15 8.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.5 p -145.08 113.3 6.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 110.019 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -145.06 163.36 33.15 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 132.48 15.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -45.09 -25.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -68.42 -46.79 68.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.684 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -52.33 144.88 21.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.684 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.98 158.85 42.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CE2' ' CD1' ' A' ' 13' ' ' PHE . 2.5 t80 -83.71 -11.2 57.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -30.37 66.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.23 -27.41 53.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' LEU . 97.8 t -61.06 -55.19 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.437 HD13 HG13 ' A' ' 56' ' ' ILE . 4.5 tp -40.41 -61.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 16.2 mttt -45.16 -54.3 7.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.572 ' CE1' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -58.67 -58.71 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.964 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' PHE . . . -39.67 -48.4 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.626 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -47.95 -53.29 16.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.89 -39.88 69.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.39 -32.37 70.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.824 ' O ' HG13 ' A' ' 49' ' ' VAL . 20.6 m-85 -104.06 19.76 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 43.27 59.0 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.824 HG13 ' O ' ' A' ' 47' ' ' PHE . 34.0 m -134.6 157.39 77.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.97 21.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.45 60.81 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.57 -49.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 82.2 p -98.82 36.54 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -140.33 158.44 44.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.57 155.53 19.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.437 HG13 HD13 ' A' ' 40' ' ' LEU . 65.5 mt -114.18 138.95 42.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.47 HD12 ' CA ' ' A' ' 61' ' ' GLY . 31.9 pt -131.86 162.21 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.911 HG23 HG22 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -107.24 173.77 6.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.455 ' N ' ' OG1' ' A' ' 58' ' ' THR . 31.9 m-20 -40.19 138.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.23 13.95 9.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.47 ' CA ' HD12 ' A' ' 57' ' ' ILE . . . 37.91 62.12 1.05 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.911 HG22 HG23 ' A' ' 58' ' ' THR . 4.8 tt -90.91 8.46 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 62' ' ' ILE . . . 58.01 116.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.506 HG23 ' CD2' ' A' ' 77' ' ' HIS . 84.4 mt -73.25 163.35 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.461 ' N ' HG22 ' A' ' 64' ' ' ILE . 3.1 m-80 -140.76 120.44 8.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.46 2.78 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.454 1.766 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.77 -30.14 36.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.424 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.6 pm0 -125.85 170.38 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 72' ' ' ASN . 44.8 p -55.39 152.01 9.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.43 -52.94 12.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.583 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -55.67 -22.06 31.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 69' ' ' THR . 75.9 m-20 -95.66 -17.88 20.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.514 HG13 ' CD2' ' A' ' 77' ' ' HIS . 75.0 t -90.98 -46.48 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.493 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -69.28 -11.04 60.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 tp -91.51 -48.63 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.53 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -72.55 -29.51 63.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.53 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 95.3 m-70 -97.62 -50.24 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.637 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.57 171.2 13.33 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.49 -29.12 20.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 0.735 . . . . 0.0 110.055 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.534 ' O ' HD23 ' A' ' 81' ' ' LEU . 25.2 mt-10 -89.54 109.0 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 80' ' ' GLU . 1.1 mt -142.58 163.56 32.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.19 144.81 43.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.5 tt -101.24 121.66 52.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 85' ' ' PRO . 1.6 pp -113.75 154.8 45.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.415 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.2 Cg_endo -75.05 140.27 25.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -117.07 77.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -154.25 130.29 10.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -66.05 -47.37 74.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.1 p -137.61 153.37 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -152.46 -169.8 18.21 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.4 t 57.0 108.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.047 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.331 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m 63.08 161.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 63.15 160.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.56 115.92 0.59 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -169.49 164.56 10.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.29 174.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 m -45.52 119.82 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ttt -74.97 108.9 8.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.65 120.38 21.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -135.49 175.53 9.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.57 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 29.5 m -150.26 143.66 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.5 p -113.06 121.54 44.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.963 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.644 ' HE2' HG22 ' A' ' 30' ' ' VAL . 11.3 m-85 -98.62 117.19 32.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.13 98.03 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.401 HG21 ' HB ' ' A' ' 83' ' ' ILE . 7.8 mt -113.92 153.14 15.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.521 HG22 HD23 ' A' ' 23' ' ' LEU . 42.1 m -132.55 103.04 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.406 HD11 ' OG ' ' A' ' 19' ' ' SER . 7.8 tp -60.13 103.92 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -97.01 47.55 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.443 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.406 ' OG ' HD11 ' A' ' 17' ' ' LEU . 66.3 p -109.16 6.92 25.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.92 160.57 30.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.24 3.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.473 1.775 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.25 -49.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.521 HD23 HG22 ' A' ' 16' ' ' THR . 1.9 mp 65.41 64.08 1.01 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.4 Cg_endo -74.98 108.4 2.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -91.57 149.67 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.643 ' HZ2' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -160.72 133.24 6.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -89.67 129.01 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.681 HD11 ' CE1' ' A' ' 42' ' ' PHE . 57.2 tp -106.74 125.25 50.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.418 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 16.3 p -102.1 124.84 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.644 HG22 ' HE2' ' A' ' 13' ' ' PHE . 2.6 m -151.17 158.9 34.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -75.0 118.0 5.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' THR . 8.0 pt-20 -38.2 -46.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -38.27 -31.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.024 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.7 m -76.64 146.68 77.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -75.02 124.72 8.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.791 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -43.85 -25.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.444 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.1 t -56.42 -30.89 63.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.378 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.12 -41.57 70.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.661 HG13 HD23 ' A' ' 28' ' ' LEU . 98.3 t -45.68 -49.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.867 HD11 ' OG ' ' A' ' 54' ' ' SER . 6.8 tp -48.55 -58.45 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -55.49 -58.08 9.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.681 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -47.58 -63.29 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.42 -58.27 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.459 ' CA ' HG23 ' A' ' 49' ' ' VAL . . . -42.05 -65.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.16 -46.33 8.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -38.23 75.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -86.6 13.93 7.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.65 55.41 9.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.459 HG23 ' CA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -130.06 164.04 43.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.79 5.8 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.84 55.9 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.25 -47.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 46.5 p -103.11 46.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.867 ' OG ' HD11 ' A' ' 40' ' ' LEU . 10.6 p -130.1 155.9 45.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.13 153.83 18.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.7 mt -116.59 135.16 57.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.3 pt -127.22 171.72 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.5 p -95.17 -166.26 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -92.53 28.77 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -157.57 26.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 37.33 48.62 1.61 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 6.0 mt -105.38 1.94 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.764 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.51 -177.76 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 65' ' ' ASN . 2.9 mm -123.0 168.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.528 ' N ' HG22 ' A' ' 64' ' ' ILE . 34.9 m-20 -135.93 99.1 11.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.444 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 51.62 2.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.4 -17.63 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.1 pm0 -127.07 165.58 19.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 74.7 p -50.92 149.15 3.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.448 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.36 -50.11 52.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.567 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -55.86 -20.98 28.39 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -94.76 -16.56 22.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 71.4 t -93.75 -45.92 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -70.42 -12.54 61.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 3.8 tp -91.89 -46.18 7.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.483 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -72.53 -27.04 61.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.5 ' ND1' HD13 ' A' ' 64' ' ' ILE . 97.2 m-70 -102.58 -50.62 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.603 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 130.82 -168.61 21.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.6 p -109.31 -31.06 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -83.59 105.54 14.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.61 164.64 29.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -115.34 136.84 52.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 83' ' ' ILE . 10.1 tt -98.71 112.4 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 pp -121.75 156.72 58.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.98 122.62 7.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.779 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -53.4 160.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.67 122.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -65.02 -68.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.8 m -126.13 -44.89 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 159.14 172.23 25.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.7 p 45.92 79.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 0.0 110.021 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 108.318 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -123.76 168.84 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -170.03 150.18 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.42 105.96 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.81 -62.43 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.6 91.07 1.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t -169.91 142.92 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.42 91.0 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 p -161.48 116.12 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -132.75 168.76 17.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.586 HG11 ' CE1' ' A' ' 74' ' ' PHE . 15.9 m -140.14 133.15 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.516 ' HB3' HG23 ' A' ' 27' ' ' VAL . 27.6 m -99.8 141.41 32.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.693 ' CE2' HG22 ' A' ' 30' ' ' VAL . 7.5 m-85 -116.67 110.57 18.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -87.63 95.3 10.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.5 mt -113.71 136.65 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 24' ' ' PRO . 1.2 m -112.56 112.72 24.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.705 HD22 ' CD1' ' A' ' 47' ' ' PHE . 11.7 tp -54.95 128.4 33.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -99.85 -25.7 14.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.361 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.5 p -52.72 -45.29 66.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.26 155.03 60.33 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' HD12 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.02 -45.76 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -47.09 -30.77 2.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER 57.37 64.63 4.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.04 164.36 33.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -113.95 151.82 31.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.2 OUTLIER -137.06 145.24 43.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.516 HG23 ' HB3' ' A' ' 12' ' ' SER . 0.2 OUTLIER -139.48 95.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 42' ' ' PHE . 6.0 tp -93.62 140.01 30.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.12 117.73 34.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.693 HG22 ' CE2' ' A' ' 13' ' ' PHE . 2.5 m -136.76 160.12 67.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.74 18.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 33' ' ' SER . 29.2 mt-10 -40.85 -58.37 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.2 m -37.26 -64.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.625 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.8 m -38.09 143.27 0.42 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.625 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.93 146.62 33.16 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.552 ' CE2' ' CE1' ' A' ' 13' ' ' PHE . 4.3 t80 -66.13 -25.38 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 2.3 t -53.65 -35.31 60.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.9 87.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.481 HG21 ' CZ ' ' A' ' 13' ' ' PHE . 86.1 t -50.6 -52.29 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.563 HD11 ' OG ' ' A' ' 54' ' ' SER . 5.7 tp -47.02 -62.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -48.72 -63.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.462 ' CD1' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -44.04 -63.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.4 -57.73 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HB1' HG23 ' A' ' 49' ' ' VAL . . . -44.97 -58.44 3.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -34.72 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.35 -31.02 71.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.705 ' CD1' HD22 ' A' ' 17' ' ' LEU . 8.3 m-85 -94.31 -6.24 44.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.08 60.53 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.528 HG23 ' HB1' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -136.32 162.22 57.7 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 127.42 10.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.2 72.0 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.24 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 48.4 p -99.9 38.09 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.563 ' OG ' HD11 ' A' ' 40' ' ' LEU . 8.5 p -137.14 156.01 48.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.15 145.85 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 53.3 mt -103.83 143.11 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.949 HG22 ' HA2' ' A' ' 63' ' ' GLY . 5.1 pt -137.12 158.57 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.466 HG22 ' HB3' ' A' ' 77' ' ' HIS . 42.8 p -70.0 173.34 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.438 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -65.32 -13.85 59.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.51 -5.94 23.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.465 ' HA2' HD12 ' A' ' 57' ' ' ILE . . . 64.94 63.21 4.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.469 1.106 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.532 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 1.2 mm -117.98 1.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.949 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . 72.99 161.87 6.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.618 HG23 ' CD2' ' A' ' 77' ' ' HIS . 5.4 mm -109.69 164.79 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -133.26 99.63 14.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.97 51.2 2.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.43 -17.47 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.427 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -123.28 -175.43 3.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 33' ' ' SER . 30.1 p -71.22 147.27 48.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.36 -51.24 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.463 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.13 -23.96 19.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' THR . 13.2 m-20 -95.53 -20.11 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.446 HG13 ' CG2' ' A' ' 64' ' ' ILE . 75.2 t -86.4 -45.74 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CE1' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -73.3 -14.35 61.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.5 tp -91.72 -47.47 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.7 ptmt -69.43 -39.34 77.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.618 ' CD2' HG23 ' A' ' 64' ' ' ILE . 89.7 m-70 -92.39 -51.57 5.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.638 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 130.21 174.84 13.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -93.4 -40.81 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.989 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.88 102.81 8.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.31 176.65 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.47 144.36 51.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.569 ' CG2' HD12 ' A' ' 17' ' ' LEU . 7.4 tt -100.4 124.35 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.7 156.74 79.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -74.98 126.57 10.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -82.13 -23.25 35.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 173.92 118.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.68 ' HD2' HG13 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -142.74 -46.63 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.68 HG13 ' HD2' ' A' ' 88' ' ' ARG . 20.1 m -42.37 120.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.84 -119.19 0.57 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.554 1.159 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.4 t -139.86 83.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 110.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 108.317 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -154.13 145.56 23.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 109.972 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -156.6 158.37 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.61 113.8 1.66 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.68 166.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.35 119.98 39.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.441 ' HB ' ' CE ' ' A' ' 10' ' ' LYS . 54.6 m -77.39 148.97 35.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mtm -82.07 156.36 24.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.2 p 39.98 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' CE ' ' HB ' ' A' ' 7' ' ' THR . 17.6 mttt -123.15 173.11 8.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.728 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 17.2 m -138.95 136.24 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.2 p -109.16 124.71 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.728 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -105.04 135.04 47.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -109.31 98.54 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.413 HG21 ' HB ' ' A' ' 83' ' ' ILE . 8.7 mt -119.96 158.28 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.5 m -135.88 124.12 23.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD11 ' OG ' ' A' ' 19' ' ' SER . 8.6 tp -62.7 128.7 37.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.8 p -106.04 90.5 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.529 ' OG ' HD11 ' A' ' 17' ' ' LEU . 5.7 p -179.15 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.92 149.23 98.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 65.04 6.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 172.05 -33.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp 64.16 77.76 0.3 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.08 42.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -124.97 154.19 41.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' NZ ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -148.86 134.65 18.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 t -91.93 115.65 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.654 HD21 ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -92.43 164.09 13.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.458 ' H ' HD23 ' A' ' 28' ' ' LEU . 24.2 p -145.62 115.31 7.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.536 HG22 ' CE1' ' A' ' 13' ' ' PHE . 1.5 m -144.26 161.34 45.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -75.01 123.76 8.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' PRO . 7.2 pt-20 -35.76 -46.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 69' ' ' THR . 1.4 t -42.28 -55.16 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.442 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 1.1 m -47.67 138.84 9.08 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.96 147.32 33.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.81 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.468 ' HE1' HD13 ' A' ' 56' ' ' ILE . 2.3 t80 -61.93 -16.38 50.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 t -65.12 -33.34 75.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.92 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.9 t -60.28 -42.57 91.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.499 ' C ' HD13 ' A' ' 40' ' ' LEU . 3.3 tm? -51.19 -53.11 38.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 2.8 tttt -61.37 -60.43 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.654 ' CE1' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -47.36 -63.01 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.79 -52.36 3.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -46.29 -67.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.57 -33.4 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -41.91 97.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -94.18 1.44 56.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mttp 65.46 40.33 4.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 25.9 m -119.67 157.18 52.74 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.5 25.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.72 39.58 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.53 -48.42 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 75.4 p -98.32 34.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.0 m -131.39 156.32 45.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 86' ' ' ARG . . . -162.73 157.01 21.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.468 HD13 ' HE1' ' A' ' 36' ' ' PHE . 17.2 mt -107.32 151.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.436 HG23 ' C ' ' A' ' 56' ' ' ILE . 6.1 pt -152.23 179.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.888 ' CG2' HD11 ' A' ' 64' ' ' ILE . 48.4 p -106.25 -172.03 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -89.78 15.78 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -127.19 21.37 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.5 51.36 43.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.5 mm -134.95 125.19 45.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.26 -171.23 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.888 HD11 ' CG2' ' A' ' 58' ' ' THR . 19.8 mm -134.39 145.18 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.58 100.98 44.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 51.15 2.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.7 -13.22 43.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.429 ' HG2' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -124.35 179.9 4.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 33' ' ' SER . 43.4 p -68.21 150.43 48.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.368 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -48.79 -48.02 41.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.559 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -59.1 -20.27 49.02 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.76 -17.68 21.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.429 HG23 ' HG2' ' A' ' 68' ' ' GLN . 30.5 t -93.81 -45.67 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.639 ' CZ ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.72 -14.14 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.516 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 4.0 tp -91.25 -58.67 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -56.65 -58.2 9.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.594 ' CG ' HD12 ' A' ' 64' ' ' ILE . 91.8 m-70 -74.67 -47.45 31.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.522 ' O ' HD11 ' A' ' 81' ' ' LEU . . . 124.5 157.89 9.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -44.78 36.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.577 ' O ' HD23 ' A' ' 81' ' ' LEU . 20.6 mt-10 -67.64 104.42 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.24 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.7 OUTLIER -144.48 166.22 25.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -116.39 146.69 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 83' ' ' ILE . 14.7 tt -100.78 113.02 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 55' ' ' ALA . 1.7 pp -109.13 156.69 38.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.99 132.88 15.93 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -93.7 85.59 4.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -124.43 106.44 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.1 85.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.451 ' CG1' ' HG2' ' A' ' 86' ' ' ARG . 11.5 p -174.69 58.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.0 -153.12 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.19 141.7 9.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.314 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -126.76 84.91 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 109.982 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.69 123.71 27.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.04 121.79 1.24 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.13 -61.26 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -135.27 95.5 3.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.6 m -150.63 86.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 mtt -93.13 113.24 25.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.92 94.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -131.5 165.12 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.621 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 27.5 m -138.47 131.06 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 p -96.49 129.48 43.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.604 ' CE2' HG22 ' A' ' 30' ' ' VAL . 8.8 m-85 -103.17 111.02 23.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.79 95.47 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 mt -126.74 156.83 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.581 HG22 ' HG ' ' A' ' 23' ' ' LEU . 32.5 m -130.13 132.67 46.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -51.26 98.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 m -82.76 76.13 9.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.2 p -171.0 -54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.32 165.57 43.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -46.59 -42.47 16.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HG ' HG22 ' A' ' 16' ' ' THR . 0.8 OUTLIER 58.41 64.56 3.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 16' ' ' THR . 18.4 Cg_endo -75.01 154.88 42.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -119.03 152.61 36.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 129.19 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.4 m -94.9 125.41 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.778 HD23 HG13 ' A' ' 39' ' ' VAL . 55.8 tp -102.28 128.96 48.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -101.95 119.71 39.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.604 HG22 ' CE2' ' A' ' 13' ' ' PHE . 2.0 m -141.03 160.26 58.77 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.57 14.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HG2' HG13 ' A' ' 11' ' ' VAL . 32.5 mt-10 -42.07 -55.96 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' GLU . 13.4 p -37.65 -56.23 1.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.626 HG23 ' HD2' ' A' ' 35' ' ' PRO . 17.7 m -50.32 144.69 11.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.97 161.56 38.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.455 ' CE2' ' CD1' ' A' ' 13' ' ' PHE . 3.7 t80 -79.27 -14.31 59.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 t -66.56 -30.6 70.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.44 -29.45 62.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.778 HG13 HD23 ' A' ' 28' ' ' LEU . 81.6 t -60.5 -42.07 89.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER -52.07 -64.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -44.94 -61.36 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -47.46 -60.64 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -46.42 -56.84 5.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -44.61 -69.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.81 -46.74 4.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -44.95 61.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.72 ' O ' HG13 ' A' ' 49' ' ' VAL . 31.7 m-85 -87.86 17.49 4.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptt 48.1 55.84 8.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 47' ' ' PHE . 16.3 m -132.37 157.39 78.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.25 15.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.555 1.818 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.79 50.38 1.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.17 -50.37 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.0 p -96.89 46.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 m -138.67 158.02 45.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.453 1.096 . . . . 0.0 110.058 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.473 ' HA ' HD11 ' A' ' 40' ' ' LEU . . . -163.15 159.89 23.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.713 HG22 HD12 ' A' ' 64' ' ' ILE . 89.8 mt -121.34 136.25 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.1 pt -133.24 173.95 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.5 p -94.61 -169.37 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -74.8 -20.18 59.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.14 14.67 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 45.83 57.61 5.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -98.14 5.0 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 0.742 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 62' ' ' ILE . . . 58.63 118.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.573 1.17 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.713 HD12 HG22 ' A' ' 56' ' ' ILE . 27.7 mt -74.1 143.9 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.774 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.69 107.2 44.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.29 2.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.29 -24.14 26.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -117.84 -176.03 2.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' ASN . 47.7 p -71.86 149.04 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.2 -50.65 15.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.7 -24.79 26.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' THR . 2.1 m-20 -96.21 -19.73 19.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.783 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 69' ' ' THR . 73.4 t -85.52 -46.57 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.621 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -71.43 -13.77 61.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.5 tp -91.29 -48.8 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.481 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -66.34 -44.42 83.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.672 ' CD2' HG23 ' A' ' 64' ' ' ILE . 95.0 m-70 -87.02 -50.41 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.59 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.488 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 129.3 -176.26 18.56 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.6 p -97.86 -28.66 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.672 ' O ' HD23 ' A' ' 81' ' ' LEU . 15.9 mt-10 -89.52 107.96 19.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 80' ' ' GLU . 1.3 mt -142.94 179.21 7.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -128.19 148.6 50.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.575 HG23 ' O ' ' A' ' 83' ' ' ILE . 8.6 tt -113.04 106.63 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 85' ' ' PRO . 1.7 pp -106.96 155.27 39.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.526 ' O ' HD12 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.0 140.27 25.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -93.59 97.9 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -89.25 94.63 9.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -95.76 -61.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.52 140.37 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.92 88.02 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.443 1.09 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.0 p -95.54 154.09 17.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.49 127.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 109.96 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.72 127.05 31.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.26 121.81 5.75 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -125.83 168.73 13.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 0.734 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.58 84.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 t -59.56 151.66 23.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.422 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.2 ttp -172.26 104.36 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m 43.25 78.68 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.976 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -125.93 173.26 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.6 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 33.5 m -135.22 153.57 34.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.5 p -118.91 128.88 54.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.789 ' CE2' HG22 ' A' ' 30' ' ' VAL . 8.3 m-85 -106.81 125.52 51.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.72 95.46 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -111.91 143.7 21.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.439 ' CG2' HD12 ' A' ' 23' ' ' LEU . 1.2 m -121.92 108.86 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.487 HD13 ' CD2' ' A' ' 47' ' ' PHE . 9.9 tp -50.83 122.82 7.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 t -124.6 58.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -137.75 -57.06 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.422 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -69.67 173.89 3.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.3 Cg_endo -75.0 55.76 4.05 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.044 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.796 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -173.91 168.16 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.356 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.796 HD22 ' O ' ' A' ' 22' ' ' ARG . 4.1 mm? -130.49 69.33 82.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.01 6.5 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -131.16 154.42 48.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.77 149.27 51.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.5 t -137.65 95.99 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.738 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -93.24 137.88 32.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.32 108.29 14.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.789 HG22 ' CE2' ' A' ' 13' ' ' PHE . 10.7 m -136.99 158.21 73.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -74.99 139.05 23.84 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' SER . 27.4 mt-10 -38.8 -57.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 69' ' ' THR . 0.2 OUTLIER -37.21 -64.15 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.616 HG23 ' HD2' ' A' ' 35' ' ' PRO . 2.7 m -38.65 142.92 0.48 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.0 157.1 42.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.42 -11.35 59.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.7 t -68.87 -36.17 77.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.41 -31.28 71.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.3 t -58.62 -54.16 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.838 HD21 ' HB2' ' A' ' 54' ' ' SER . 1.9 tt -46.61 -62.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 10.1 mtmt -49.64 -62.73 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.738 ' CD1' HD21 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -43.79 -52.59 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.54 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . . . -61.81 -36.37 80.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.506 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -63.6 -66.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -46.48 -35.07 5.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.96 -37.79 75.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.523 ' O ' HG13 ' A' ' 49' ' ' VAL . 2.2 m-85 -90.71 22.34 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER 40.51 56.03 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 47' ' ' PHE . 2.5 m -131.15 160.35 67.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 119.12 5.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.46 ' HB1' ' HG2' ' A' ' 41' ' ' LYS . . . -86.35 54.92 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.5 -54.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.58 55.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.838 ' HB2' HD21 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -139.77 154.88 47.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.525 ' HA ' HD11 ' A' ' 40' ' ' LEU . . . -162.71 139.46 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.62 HD12 HD12 ' A' ' 40' ' ' LEU . 15.9 mt -95.03 136.52 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.583 HG22 ' HA2' ' A' ' 63' ' ' GLY . 3.8 pt -131.04 162.39 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 p -92.62 157.32 16.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.327 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 3.7 m-20 -65.86 84.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 22.9 t0 175.72 -34.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.51 51.13 0.59 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.5 mm -140.5 140.84 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.225 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.583 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -78.14 -178.03 48.68 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.686 HG23 ' CD2' ' A' ' 77' ' ' HIS . 13.0 mt -127.06 141.99 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -110.66 101.67 49.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 51.5 2.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.5 -16.7 28.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -117.87 -169.16 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 33' ' ' SER . 21.0 p -77.12 145.96 37.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.34 -47.41 25.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -56.56 -24.27 46.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' CB ' ' HG3' ' A' ' 68' ' ' GLN . 69.9 m-20 -94.96 -14.95 23.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 53.2 t -92.35 -47.32 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -70.48 -13.38 62.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.4 tp -91.2 -51.27 5.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.496 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 13.2 ptmt -67.75 -45.62 74.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.686 ' CD2' HG23 ' A' ' 64' ' ' ILE . 86.6 m-70 -83.04 -46.06 13.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 122.53 175.48 14.72 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.9 p -92.67 -44.16 8.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.747 . . . . 0.0 109.972 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 81' ' ' LEU . 4.3 mt-10 -76.53 107.23 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.6 OUTLIER -142.5 179.99 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -131.51 145.14 51.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.4 tt -97.3 117.72 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.56 158.02 57.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 151.28 39.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -71.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -178.21 146.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.523 ' O ' ' C ' ' A' ' 89' ' ' VAL . 0.2 OUTLIER 70.42 81.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.349 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 89' ' ' VAL . 10.0 p 31.03 67.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.28 71.48 1.5 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.7 97.86 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.99 130.08 49.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.743 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.83 157.41 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.6 148.87 19.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.9 166.07 33.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -144.43 68.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -149.5 141.13 23.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.98 104.89 8.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.98 93.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -115.45 165.03 13.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.578 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 27.5 m -137.88 139.6 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.2 p -107.87 132.88 52.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CD2' HG21 ' A' ' 39' ' ' VAL . 2.2 m-85 -107.56 120.56 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -93.87 99.92 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 mt -113.65 143.97 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 18' ' ' THR . 1.2 t -129.77 121.53 27.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.36 105.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 16' ' ' THR . 68.2 p -89.64 63.78 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.3 p -178.77 61.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.6 t70 179.99 143.0 0.36 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 58.94 5.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -164.19 -44.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 1.7 mm? 67.4 64.34 0.71 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.0 129.45 12.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -118.81 152.16 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.87 139.61 13.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.0 m -101.49 134.69 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.693 HD23 HG23 ' A' ' 39' ' ' VAL . 30.8 tp -116.2 113.52 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -91.37 125.52 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.505 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.9 m -147.29 158.99 43.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 124.41 8.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 11' ' ' VAL . 44.1 mt-10 -39.77 -47.83 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLU . 2.7 p -39.15 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.596 HG23 ' HD2' ' A' ' 35' ' ' PRO . 19.1 m -80.01 144.76 59.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.03 153.39 41.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.793 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.6 t80 -78.0 -10.05 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -64.83 -31.77 73.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -73.72 -65.4 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.693 HG23 HD23 ' A' ' 28' ' ' LEU . 2.0 p -34.41 -48.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.561 HD13 HG13 ' A' ' 56' ' ' ILE . 2.5 tp -44.81 -60.8 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 12.8 mttm -61.79 -58.79 6.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -39.19 -57.65 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.93 -50.8 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -44.81 -54.05 6.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.14 -33.03 68.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -14.92 61.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.413 ' O ' HG13 ' A' ' 49' ' ' VAL . 1.7 m-85 -110.71 3.8 19.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.4 mttt 62.18 27.99 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 32.2 m -110.93 157.33 38.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 134.63 18.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.42 ' HB1' ' HG2' ' A' ' 41' ' ' LYS . . . -83.3 52.23 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.95 -50.37 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.5 p -94.97 41.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -133.44 158.2 43.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.24 130.67 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 HD13 ' A' ' 40' ' ' LEU . 93.4 mt -98.05 130.65 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.861 HD12 ' HA2' ' A' ' 61' ' ' GLY . 6.3 pt -134.29 163.52 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.9 p -84.49 163.56 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -53.27 -32.79 50.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -65.27 -16.65 63.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.861 ' HA2' HD12 ' A' ' 57' ' ' ILE . . . 86.39 48.99 4.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 mm -134.76 137.36 51.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.795 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -57.85 -164.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.503 HG23 ' CD2' ' A' ' 77' ' ' HIS . 5.3 mm -131.28 167.63 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.446 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 5.3 m120 -137.31 104.85 8.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 51.11 2.68 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.73 -15.73 29.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.457 ' HG2' HG23 ' A' ' 73' ' ' VAL . 1.2 pm0 -128.73 -176.15 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.408 ' OG1' ' ND2' ' A' ' 72' ' ' ASN . 61.4 p -70.07 149.31 47.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -47.86 -46.91 31.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.509 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -58.98 -22.93 56.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.408 ' ND2' ' OG1' ' A' ' 69' ' ' THR . 22.3 m-20 -94.8 -14.81 24.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.737 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.457 HG23 ' HG2' ' A' ' 68' ' ' GLN . 40.9 t -94.1 -47.66 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -68.52 -14.19 62.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.3 tp -91.23 -58.14 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.9 OUTLIER -58.48 -44.93 89.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.503 ' CD2' HG23 ' A' ' 64' ' ' ILE . 92.5 m-70 -84.4 -46.09 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.568 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 119.6 164.59 12.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.4 p -81.69 -38.33 25.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.968 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.487 ' O ' HD23 ' A' ' 81' ' ' LEU . 45.6 mt-10 -75.57 105.96 6.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.6 OUTLIER -140.5 167.35 22.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HB3' HG21 ' A' ' 18' ' ' THR . 0.0 OUTLIER -130.0 143.51 50.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 83' ' ' ILE . 11.6 tt -97.67 117.72 42.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 pp -107.48 156.54 37.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.75 5.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -61.58 -50.17 73.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.3 92.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -55.59 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.0 p -114.35 155.75 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.26 165.36 2.49 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.2 m -131.8 122.26 25.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.789 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m -89.64 170.27 10.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.74 -59.3 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.32 -175.87 25.18 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -178.05 -60.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.29 170.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.1 m -93.1 83.07 4.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.25 85.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 178.16 117.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -134.81 165.08 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.567 ' HB ' ' CD2' ' A' ' 74' ' ' PHE . 28.6 m -135.59 137.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.561 ' HB2' HG13 ' A' ' 27' ' ' VAL . 2.5 p -113.93 137.6 51.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.04 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.692 ' CE1' ' CE2' ' A' ' 36' ' ' PHE . 14.6 m-85 -105.97 110.62 22.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HE2' HG22 ' A' ' 27' ' ' VAL . 1.1 ttmm -89.91 95.54 10.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.77 HD12 ' NZ ' ' A' ' 26' ' ' LYS . 17.1 mt -113.24 149.0 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.463 HG21 ' HB3' ' A' ' 23' ' ' LEU . 43.6 m -135.03 125.39 26.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.447 HD12 ' H ' ' A' ' 18' ' ' THR . 48.7 tp -52.51 144.6 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.447 ' H ' HD12 ' A' ' 17' ' ' LEU . 46.7 p -127.78 101.5 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' THR . 4.0 p 163.93 -49.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 110.01 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.32 171.35 6.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 22' ' ' ARG . 18.2 Cg_endo -75.02 -169.47 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' PRO . 27.6 mtp180 37.31 58.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' HB3' HG21 ' A' ' 16' ' ' THR . 4.8 mp -37.29 98.07 0.15 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' ARG . 18.4 Cg_endo -74.99 139.67 24.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -117.64 153.13 33.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.77 ' NZ ' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -142.06 154.5 44.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.561 HG13 ' HB2' ' A' ' 12' ' ' SER . 41.7 t -127.79 99.12 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' CD1' ' HG3' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -91.42 113.38 25.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.484 ' O ' HG13 ' A' ' 30' ' ' VAL . 58.7 p -94.55 132.55 39.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 29' ' ' SER . 35.2 m -156.52 157.78 31.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 122.26 7.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.536 1.808 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -38.29 -46.2 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 p -40.48 -38.45 0.84 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.697 HG23 ' HD2' ' A' ' 35' ' ' PRO . 3.0 m -70.57 145.65 92.9 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 110.455 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.697 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.1 Cg_endo -75.02 160.57 39.94 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CE2' ' CE1' ' A' ' 13' ' ' PHE . 2.4 t80 -87.71 -10.87 49.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -34.93 77.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -70.21 -66.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.68 HG21 ' CD2' ' A' ' 13' ' ' PHE . 2.2 p -35.93 -42.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.011 HD22 HD12 ' A' ' 56' ' ' ILE . 1.9 tm? -40.46 -53.77 2.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' ALA . 6.0 mttt -69.87 -58.14 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' ALA . 1.2 t80 -41.27 -53.73 3.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -40.05 -53.22 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.455 ' CA ' HG23 ' A' ' 49' ' ' VAL . . . -45.25 -51.19 11.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -32.61 69.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -66.99 -19.17 65.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 17' ' ' LEU . 10.9 m-85 -112.89 -0.61 14.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mttt 65.72 49.89 1.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.455 HG23 ' CA ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -128.74 161.42 57.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 142.69 28.09 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.47 54.26 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.77 -52.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 55.4 p -91.23 40.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -138.02 147.03 43.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.623 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . . . -159.95 135.71 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.011 HD12 HD22 ' A' ' 40' ' ' LEU . 51.1 mt -103.64 134.54 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.912 HG22 ' HA2' ' A' ' 63' ' ' GLY . 4.2 pt -136.68 177.16 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.596 HG22 ' HB3' ' A' ' 77' ' ' HIS . 72.3 p -97.72 -178.57 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.8 OUTLIER -80.39 88.85 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 3.4 m-20 159.0 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.34 -30.41 4.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.1 mt -47.96 140.4 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.912 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -81.19 -157.21 16.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.582 ' HA ' ' CE1' ' A' ' 77' ' ' HIS . 7.7 mm -127.57 149.57 32.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 0.746 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.448 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 8.1 m120 -124.88 103.86 30.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.7 2.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.14 -15.47 24.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.46 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.7 pm0 -127.22 177.21 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 72' ' ' ASN . 24.9 p -66.28 152.82 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.5 -53.55 11.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.514 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -54.91 -21.89 25.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' THR . 3.1 m-20 -94.79 -18.73 20.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 0.736 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 61.2 t -90.92 -46.68 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.89 -14.48 62.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.533 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.4 tp -91.45 -53.32 4.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.464 ' CG ' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -63.55 -42.22 98.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.596 ' HB3' HG22 ' A' ' 58' ' ' THR . 89.8 m-70 -86.75 -48.29 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.634 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 125.32 161.22 10.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.0 p -79.83 -51.97 8.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -72.18 101.9 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.45 170.26 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -122.07 139.91 53.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 2.1 tt -96.22 116.51 38.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.04 155.58 41.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.93 114.1 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.623 ' HD2' ' HB2' ' A' ' 55' ' ' ALA . 1.9 tpt180 -66.24 143.9 56.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.32 95.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.1 mtt-85 -45.15 -52.54 9.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.4 p -171.28 141.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 165.82 161.34 14.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.3 p -66.37 120.83 14.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 110.021 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -106.53 163.93 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 41.48 88.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.11 142.98 11.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.37 161.72 42.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -103.23 63.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.3 p -123.03 121.53 36.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 110.456 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.21 84.8 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -130.58 88.45 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.011 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.31 171.16 12.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.631 ' CG1' ' CZ ' ' A' ' 74' ' ' PHE . 26.9 m -147.97 140.51 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 p -112.99 124.88 53.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.526 ' CE2' HG22 ' A' ' 30' ' ' VAL . 3.2 m-85 -96.37 117.04 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.045 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 95.87 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 81' ' ' LEU . 2.7 mt -110.86 154.6 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 18' ' ' THR . 3.1 m -133.85 112.77 11.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.95 135.61 57.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 16' ' ' THR . 69.6 p -122.44 100.55 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.3 p 178.36 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -94.08 149.56 37.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 55.53 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -152.33 -45.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 3.3 mp 67.38 64.3 0.71 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.0 146.72 32.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -124.83 149.78 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 0.9 OUTLIER -153.12 133.78 13.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -98.53 126.16 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -101.48 123.04 44.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.41 ' C ' ' CG1' ' A' ' 30' ' ' VAL . 52.3 p -97.64 124.9 42.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.526 HG22 ' CE2' ' A' ' 13' ' ' PHE . 3.3 m -152.1 158.9 33.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.44 17.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' SER . 27.8 mt-10 -40.28 -56.54 1.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' GLU . 0.3 OUTLIER -36.06 -63.76 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.559 HG23 ' HD2' ' A' ' 35' ' ' PRO . 1.9 m -39.25 141.57 0.65 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.94 158.44 42.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.545 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.6 t80 -84.47 -11.23 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 4.6 t -62.06 -34.16 75.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -71.29 -66.91 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 36' ' ' PHE . 2.1 p -35.69 -46.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 1.4 tp -42.89 -62.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.724 ' HA ' ' HB1' ' A' ' 51' ' ' ALA . 5.1 mtpp -61.69 -55.84 26.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.602 ' CD1' HD11 ' A' ' 28' ' ' LEU . 1.3 t80 -41.75 -54.9 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -40.43 -61.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . . . -40.82 -63.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -45.34 -37.79 5.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -67.59 -37.15 82.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 26' ' ' LYS . 31.4 m-85 -90.79 2.69 55.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.597 ' O ' HG13 ' A' ' 49' ' ' VAL . 0.7 OUTLIER 62.8 69.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -158.5 162.59 26.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.93 6.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.724 ' HB1' ' HA ' ' A' ' 41' ' ' LYS . . . -79.31 -38.11 36.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.9 -40.93 23.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.5 p -105.8 44.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.0 p -125.69 163.24 23.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.62 137.74 11.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 40' ' ' LEU . 97.4 mt -114.46 121.28 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.537 HG22 ' HA2' ' A' ' 63' ' ' GLY . 5.0 pt -117.19 170.22 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -86.47 -169.37 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -93.24 31.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.69 31.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 49.49 49.35 33.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.0 mm -132.66 135.82 56.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.537 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -70.05 -174.88 14.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.589 HG23 ' NE2' ' A' ' 77' ' ' HIS . 61.7 mt -131.93 149.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.4 112.81 23.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.451 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.98 51.48 2.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.771 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.56 -23.83 39.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -124.08 172.06 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 33' ' ' SER . 42.7 p -55.97 151.46 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.86 -44.01 49.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -57.64 -24.88 54.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -95.45 -16.47 22.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -89.88 -46.27 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.03 -13.51 61.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 1.6 tp -91.46 -52.7 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.505 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 1.0 OUTLIER -64.45 -41.43 96.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.589 ' NE2' HG23 ' A' ' 64' ' ' ILE . 90.8 m-70 -88.42 -48.25 7.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 0.0 109.621 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 124.62 171.9 13.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 p -94.49 -3.3 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.554 ' O ' HD23 ' A' ' 81' ' ' LEU . 41.1 mt-10 -109.24 103.88 12.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -140.33 166.28 25.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -123.38 142.43 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 83' ' ' ILE . 2.8 tt -96.1 109.8 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 pp -106.55 156.73 36.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 88' ' ' ARG . 18.3 Cg_endo -75.04 127.95 11.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -77.11 -58.58 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -158.81 110.99 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 85' ' ' PRO . 5.4 mtt85 -120.25 57.25 0.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 89' ' ' VAL . 35.1 m -94.25 114.72 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.72 -126.7 3.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.7 t -82.14 121.73 26.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.055 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 108.315 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 51.64 93.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 0.0 109.991 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.41 113.92 27.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.25 118.94 0.22 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 97.55 3.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.59 78.11 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.9 m -62.31 142.76 57.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -142.75 -52.7 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 p -154.66 91.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -120.94 168.7 11.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.438 HG11 ' HA2' ' A' ' 71' ' ' GLY . 17.4 m -137.18 122.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 t -98.24 138.49 35.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.643 ' HE1' HG22 ' A' ' 30' ' ' VAL . 6.4 m-85 -113.08 147.06 38.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.19 95.64 4.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 mt -114.11 148.87 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 18' ' ' THR . 17.8 m -125.66 120.84 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.5 tp -56.34 133.19 52.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 16' ' ' THR . 14.1 p -133.71 92.04 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -178.37 -38.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.6 172.5 6.45 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 18.5 Cg_endo -74.94 55.57 3.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.662 ' O ' HD12 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -173.58 -174.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -156.99 64.4 3.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.03 124.35 8.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.539 1.81 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -74.01 155.03 39.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -131.26 145.84 52.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.68 97.93 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.768 HD11 ' HB3' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -91.47 163.02 14.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.29 116.21 9.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.643 HG22 ' HE1' ' A' ' 13' ' ' PHE . 4.7 m -145.87 158.38 49.27 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.97 128.76 11.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' PRO . 8.3 pt-20 -36.07 -45.33 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.417 ' O ' ' HB ' ' A' ' 69' ' ' THR . 0.5 OUTLIER -50.27 -52.65 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.033 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.699 HG23 ' HD2' ' A' ' 35' ' ' PRO . 3.5 m -48.35 145.78 5.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.699 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.98 150.62 38.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.593 1.839 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.479 ' CE2' ' CE2' ' A' ' 13' ' ' PHE . 3.8 t80 -71.04 -25.15 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 t -55.89 -32.85 64.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.439 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.11 75.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.592 HG21 ' CZ ' ' A' ' 13' ' ' PHE . 97.5 t -53.08 -38.19 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.426 ' HB2' HD12 ' A' ' 56' ' ' ILE . 11.1 tp -62.33 -63.7 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -47.09 -48.61 22.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.768 ' HB3' HD11 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -61.29 -60.31 3.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . . . -43.73 -49.93 7.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.429 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . . . -48.36 -66.74 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.0 -38.12 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -47.76 80.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 26' ' ' LYS . 8.8 m-85 -84.0 10.83 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.22 60.34 3.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' ' 44' ' ' ALA . 1.6 m -134.85 160.81 67.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 135.7 19.48 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.77 55.35 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.61 -54.63 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.0 p -91.81 32.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -132.33 156.42 46.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.21 152.48 14.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.426 HD12 ' HB2' ' A' ' 40' ' ' LEU . 50.2 mt -110.14 133.47 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.733 HG22 ' HA2' ' A' ' 63' ' ' GLY . 15.7 pt -141.63 160.4 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 1.085 HG22 HD22 ' A' ' 81' ' ' LEU . 20.7 p -91.0 141.53 28.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.415 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' C ' ' N ' ' A' ' 61' ' ' GLY . 7.1 m120 46.93 27.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.609 ' C ' HD12 ' A' ' 57' ' ' ILE . 0.7 OUTLIER 54.57 16.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 59' ' ' ASN . . . -118.34 -87.16 1.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.82 140.63 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.733 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -86.05 -160.32 33.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.795 HG23 ' CD2' ' A' ' 77' ' ' HIS . 21.4 mt -142.1 144.97 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.62 107.89 42.1 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 52.03 2.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.56 -16.43 34.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.457 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 1.1 pm0 -127.38 -175.61 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' ASN . 26.1 p -69.56 148.81 48.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.19 -55.68 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.32 -21.15 11.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' THR . 8.1 m-20 -95.5 -19.73 19.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.627 HG13 ' CD2' ' A' ' 77' ' ' HIS . 72.7 t -88.92 -46.61 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.493 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -69.91 -10.87 60.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tp -92.16 -40.83 10.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.532 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.7 OUTLIER -82.08 -28.18 32.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.795 ' CD2' HG23 ' A' ' 64' ' ' ILE . 96.8 m-70 -99.95 -40.38 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 112.35 176.91 19.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.24 -16.1 20.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -94.85 102.68 14.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.085 HD22 HG22 ' A' ' 58' ' ' THR . 0.5 OUTLIER -141.43 175.42 9.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.8 151.83 51.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.6 tt -98.06 133.78 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.404 HD11 ' HE ' ' A' ' 86' ' ' ARG . 1.4 pp -133.1 156.81 79.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.94 5.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.404 ' HE ' HD11 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -154.2 120.52 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -123.21 110.71 15.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.44 60.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.0 m -97.75 131.69 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -121.15 -173.57 14.7 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.4 t -151.31 116.23 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 0.793 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -86.11 83.29 7.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.84 145.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.41 96.13 1.39 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.86 168.82 14.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.57 162.97 29.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -152.19 -46.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.08 133.51 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.56 115.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -127.52 166.21 18.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.56 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 30.2 m -141.47 129.24 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.83 122.42 46.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.599 ' CE2' HG22 ' A' ' 30' ' ' VAL . 1.9 m-85 -98.81 118.24 35.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.47 103.14 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mt -116.75 156.66 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 24' ' ' PRO . 3.2 m -138.66 127.0 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.439 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.534 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 8.8 tp -63.82 147.84 50.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -129.12 20.29 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.376 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.7 p -107.3 -36.13 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.75 145.39 36.81 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.79 3.76 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -150.79 -45.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.425 ' N ' ' HD3' ' A' ' 24' ' ' PRO . 4.8 mp 65.81 63.89 0.96 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.598 ' O ' HG23 ' A' ' 16' ' ' THR . 18.1 Cg_endo -75.07 175.52 11.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -131.62 152.77 50.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -160.53 130.4 5.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.6 m -102.22 127.26 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD13 HG23 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -101.96 116.77 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.435 ' C ' HG13 ' A' ' 30' ' ' VAL . 18.9 p -94.9 122.52 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.599 HG22 ' CE2' ' A' ' 13' ' ' PHE . 5.3 m -152.85 158.21 33.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -74.98 123.71 8.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -38.44 -46.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 p -40.0 -37.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.959 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.698 HG23 ' HD2' ' A' ' 35' ' ' PRO . 4.0 m -70.43 145.85 93.46 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.698 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -75.02 157.03 42.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.551 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.5 t80 -82.0 -12.16 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.445 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 1.2 t -61.34 -33.86 74.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.424 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -71.74 -67.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 36' ' ' PHE . 2.1 p -35.93 -45.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.676 ' HA ' HD12 ' A' ' 56' ' ' ILE . 5.8 tt -45.26 -66.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -58.72 -54.01 51.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -43.61 -46.84 7.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.5 37.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HA ' HG23 ' A' ' 49' ' ' VAL . . . -47.93 -59.66 3.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -51.69 -35.17 41.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -30.37 71.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 17' ' ' LEU . 10.9 m-85 -95.25 -5.6 43.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 75.39 49.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.438 HG23 ' HA ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -136.58 164.65 41.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 138.35 23.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.64 50.32 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.42 -50.12 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 68.5 p -96.97 44.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.9 m -135.32 153.41 51.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.26 131.85 8.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 40' ' ' LEU . 92.3 mt -102.48 121.74 53.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.78 HG22 ' HA2' ' A' ' 63' ' ' GLY . 7.1 pt -120.93 169.39 12.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.4 p -85.5 -167.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -92.05 19.41 6.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -131.23 35.29 3.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 40.48 57.71 2.66 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.8 mm -139.44 137.23 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.78 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -68.97 -170.47 6.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.68 HG23 ' CD2' ' A' ' 77' ' ' HIS . 17.7 mt -132.3 144.29 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.441 ' O ' ' NE2' ' A' ' 68' ' ' GLN . 4.0 t30 -120.77 112.18 33.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.445 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.1 Cg_endo -74.98 51.74 2.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.35 -15.58 42.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HG2' HG23 ' A' ' 73' ' ' VAL . 1.6 pm0 -130.53 -174.55 3.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 p -72.9 154.55 40.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -49.16 -54.29 17.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.499 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -53.97 -21.56 17.41 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.38 -19.32 20.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 0.807 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' ' 68' ' ' GLN . 17.8 t -89.31 -46.29 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.499 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -70.32 -10.69 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 tp -91.7 -44.47 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.557 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -77.95 -30.27 50.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.68 ' CD2' HG23 ' A' ' 64' ' ' ILE . 93.1 m-70 -96.65 -41.54 8.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 117.25 175.81 17.39 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 83.0 p -92.98 -36.81 12.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 110.061 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -84.71 107.94 17.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.49 166.64 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -121.79 137.59 54.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 83' ' ' ILE . 4.2 tt -97.35 113.73 32.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 pp -113.44 154.62 45.42 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.03 119.24 5.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.4 142.31 28.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -157.39 104.32 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.87 49.95 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.4 t -122.72 96.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -147.56 -100.62 0.25 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.108 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 t -81.88 100.64 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.284 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m 49.69 87.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 109.972 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -128.68 140.15 51.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.36 162.7 33.0 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.03 121.92 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -155.29 99.91 2.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.4 m -94.53 -61.59 1.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.87 87.15 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 p -177.88 95.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -132.37 168.17 18.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.651 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 30.3 m -131.52 127.21 59.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 p -99.95 128.02 46.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.651 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 6.9 m-85 -104.26 110.16 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -92.37 95.41 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 mt -108.46 125.8 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.81 ' CG2' HD23 ' A' ' 23' ' ' LEU . 5.1 m -110.88 111.18 22.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.0 tp -57.84 142.09 46.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p -117.95 62.08 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.69 -45.45 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.616 ' O ' HD12 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -100.39 166.94 11.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.21 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -23.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.81 HD23 ' CG2' ' A' ' 16' ' ' THR . 0.3 OUTLIER 49.46 79.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 112.4 3.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -85.88 148.71 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 1.2 tmtm? -124.79 142.45 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -139.54 99.87 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -98.1 145.96 26.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -115.49 112.83 22.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.627 HG22 ' CE2' ' A' ' 13' ' ' PHE . 1.3 m -136.1 160.71 66.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' THR . 18.3 Cg_endo -75.03 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -40.52 -40.28 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.6 p -54.27 -46.36 72.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.639 HG23 ' HD2' ' A' ' 35' ' ' PRO . 13.6 m -54.27 145.17 37.44 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.2 Cg_endo -75.0 159.23 41.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' HA ' HG12 ' A' ' 39' ' ' VAL . 2.5 t80 -85.03 -9.89 57.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.446 ' HB ' ' CB ' ' A' ' 66' ' ' PRO . 2.4 t -65.28 -33.35 75.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 39' ' ' VAL . . . -72.38 -65.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 36' ' ' PHE . 2.0 p -34.12 -46.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 tt -51.27 -68.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 16.4 mttm -47.93 -55.95 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -41.79 -61.39 1.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -45.0 -59.43 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.607 ' HB1' HG23 ' A' ' 49' ' ' VAL . . . -40.02 -65.9 0.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.4 -50.49 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.97 -48.69 72.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 23.4 m-85 -69.76 -5.71 27.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.68 59.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.607 HG23 ' HB1' ' A' ' 44' ' ' ALA . 35.7 m -136.29 157.56 75.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.27 33.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.41 54.8 2.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -149.04 -48.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 85' ' ' PRO . 40.5 p -93.28 43.11 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 p -136.68 143.26 43.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 86' ' ' ARG . . . -163.16 119.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.1 mt -90.0 118.82 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.569 HG22 ' HA2' ' A' ' 63' ' ' GLY . 27.1 pt -120.1 135.38 60.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.579 ' HB ' HD22 ' A' ' 81' ' ' LEU . 1.1 t -87.23 170.73 11.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' N ' ' OG1' ' A' ' 58' ' ' THR . 68.1 m-20 -61.43 88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.23 -30.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 50.33 1.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.645 HG22 ' H ' ' A' ' 64' ' ' ILE . 70.9 mt -128.38 117.49 45.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 57' ' ' ILE . . . -58.73 -13.95 20.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.744 HG23 ' CD2' ' A' ' 77' ' ' HIS . 9.7 mt 76.23 141.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.337 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -118.57 119.43 32.78 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.446 ' CB ' ' HB ' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.94 51.87 2.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.29 -24.94 31.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HG2' ' CG2' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -121.39 -174.5 2.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' ASN . 30.2 p -73.66 151.32 40.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -46.97 -52.75 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.517 ' HA2' ' CD1' ' A' ' 74' ' ' PHE . . . -55.98 -21.92 32.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' THR . 17.2 m-20 -95.2 -17.32 21.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG2' ' HG2' ' A' ' 68' ' ' GLN . 77.1 t -92.1 -46.69 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.517 ' CD1' ' HA2' ' A' ' 71' ' ' GLY . 0.1 OUTLIER -69.47 -10.93 60.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.963 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 2.2 tp -91.8 -48.55 6.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HG3' ' CD2' ' A' ' 77' ' ' HIS . 10.3 ptpt -72.59 -29.05 63.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.744 ' CD2' HG23 ' A' ' 64' ' ' ILE . 94.4 m-70 -99.55 -50.62 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.593 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 74' ' ' PHE . . . 126.47 173.22 13.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 86.1 p -88.57 -37.54 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.783 . . . . 0.0 110.007 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.931 ' O ' HD23 ' A' ' 81' ' ' LEU . 25.4 mt-10 -85.83 120.0 26.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.931 HD23 ' O ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -147.86 169.39 19.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.93 134.26 55.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 83' ' ' ILE . 6.2 tt -95.61 113.66 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -108.1 156.46 38.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.98 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.042 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.655 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 4.0 tpt180 -74.68 153.02 39.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -107.03 88.2 2.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.76 -54.23 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.67 169.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 123.36 71.16 0.24 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -75.78 78.8 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.275 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.38 -58.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 48.6 90.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.39 -152.47 5.74 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.57 101.04 13.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.9 -58.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.6 m 42.8 83.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.412 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.32 -56.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m -152.77 101.18 2.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.59 165.38 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.551 HG23 ' CZ ' ' A' ' 13' ' ' PHE . 3.8 m -136.07 133.43 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.7 p -100.71 134.25 43.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CZ ' HG23 ' A' ' 11' ' ' VAL . 8.2 m-85 -114.89 131.84 56.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 95.44 5.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mt -112.25 147.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 m -131.33 125.44 32.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -61.27 109.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.45 HG21 ' HB3' ' A' ' 82' ' ' ARG . 13.5 p -94.37 75.92 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.0 p -155.25 -66.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.955 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.07 149.84 87.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 74.12 4.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -160.14 -43.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 66.72 66.02 0.72 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.72 6.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -82.79 153.77 25.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.93 145.44 48.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.7 t -133.33 95.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.59 HD11 ' CE1' ' A' ' 42' ' ' PHE . 14.6 tp -97.69 144.24 27.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.07 120.14 32.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 110.04 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG22 ' HE1' ' A' ' 13' ' ' PHE . 3.0 m -146.91 158.95 44.57 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 123.71 8.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 34' ' ' THR . 14.6 pt-20 -39.24 -45.46 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' GLU . 1.9 p -39.12 -30.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.5 HG23 ' HD2' ' A' ' 35' ' ' PRO . 53.7 m -81.38 144.02 52.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 34' ' ' THR . 18.4 Cg_endo -74.93 160.21 40.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.28 -36.82 58.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 t -43.89 -35.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.424 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.12 -47.09 63.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.0 t -41.36 -43.12 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.629 ' C ' HD13 ' A' ' 40' ' ' LEU . 2.3 tm? -46.18 -70.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.713 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 36.2 mttt -42.12 -61.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.59 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -47.29 -63.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.97 -26.38 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -73.65 -69.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.88 -34.73 9.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.31 -37.26 84.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.495 ' HB3' HG13 ' A' ' 49' ' ' VAL . 3.4 m-85 -91.74 4.59 52.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.2 mttt 66.21 21.93 11.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.495 HG13 ' HB3' ' A' ' 47' ' ' PHE . 15.7 m -101.87 157.36 33.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.19 24.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.416 1.745 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.33 41.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.81 -52.67 1.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.6 p -104.03 45.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -138.55 134.88 34.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.23 163.9 31.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.729 HG22 HD12 ' A' ' 64' ' ' ILE . 8.1 mt -114.59 126.88 72.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.5 pt -119.97 157.52 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' GLY . 5.9 t -112.92 170.04 8.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.417 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 12.9 m120 -39.54 136.25 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 59' ' ' ASN . 0.4 OUTLIER 76.85 9.18 2.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' THR . . . 40.34 48.64 3.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -87.87 13.3 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.47 171.95 2.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.849 HG23 ' CG ' ' A' ' 77' ' ' HIS . 26.6 mt -131.77 140.78 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.463 ' H ' ' CE1' ' A' ' 77' ' ' HIS . 2.4 t30 -114.89 106.48 51.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 51.57 2.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.93 -10.97 56.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.491 ' HG2' HG22 ' A' ' 73' ' ' VAL . 1.0 OUTLIER -130.11 170.4 14.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 72' ' ' ASN . 43.9 p -56.68 149.53 17.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 34' ' ' THR . . . -47.0 -49.33 21.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.443 ' HA2' HG11 ' A' ' 11' ' ' VAL . . . -56.71 -23.71 45.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' THR . 2.4 m-20 -95.94 -17.34 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.491 HG22 ' HG2' ' A' ' 68' ' ' GLN . 71.7 t -89.77 -47.07 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.491 ' CZ ' HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -69.11 -12.93 62.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -91.28 -62.04 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.572 ' HG2' ' CD2' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -56.06 -56.62 18.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.849 ' CG ' HG23 ' A' ' 64' ' ' ILE . 83.9 m-70 -71.02 -46.21 62.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.508 ' O ' HD21 ' A' ' 81' ' ' LEU . . . 122.24 147.87 7.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 t -69.77 -44.24 70.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -77.06 102.66 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.508 HD21 ' O ' ' A' ' 78' ' ' GLY . 0.3 OUTLIER -132.84 175.55 9.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' HB3' HG21 ' A' ' 18' ' ' THR . 1.0 OUTLIER -124.62 137.66 54.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.439 ' CG2' ' O ' ' A' ' 83' ' ' ILE . 6.1 tt -96.21 114.31 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.67 154.26 44.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.25 7.76 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -80.8 146.77 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.47 81.57 1.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.2 mtt85 -138.3 35.36 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.1 t -93.9 -73.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.39 -125.13 7.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.96 -63.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.945 . . . . . . . . 0 0 . 1 stop_ save_