data_1e8j_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 1e8j _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 ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 122.139 0.971 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -137.19 126.35 24.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.836 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.8 p -123.45 148.26 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -79.5 139.81 37.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.274 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.404 ' CG2' ' OE2' ' A' ' 50' ' ' GLU . 3.1 p -94.04 -3.11 51.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 t -85.81 -45.44 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -117.27 -63.6 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.94 61.26 0.2 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 4.8 t80 -118.26 95.7 5.0 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.02 -0.59 . . . . 0.0 109.843 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -55.55 117.84 3.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CD2' ' HD1' ' A' ' 30' ' ' PHE . 25.0 t80 -57.92 -45.87 85.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.855 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 17' ' ' LYS . 63.8 m-20 50.22 99.85 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.4 -33.14 36.52 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.289 3.326 . . . . 0.0 109.649 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.03 -21.01 57.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HB2' ' CB ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -87.99 -32.11 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.62 -135.49 4.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 122.081 0.943 . . . . 0.0 109.333 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 mm -130.25 140.26 49.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.22 150.33 40.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.68 105.2 0.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.296 3.331 . . . . 0.0 109.59 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.24 65.13 0.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.443 1.089 . . . . 0.0 111.002 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.5 m -121.55 137.17 54.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.14 139.5 56.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.405 ' HD1' ' CD2' ' A' ' 13' ' ' TYR . 78.4 t80 -71.26 -4.62 26.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.12 -23.1 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -86.76 -2.61 58.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' PRO . 72.5 mt -58.45 146.96 70.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' LEU . 87.2 Cg_exo -42.31 165.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.323 3.349 . . . . 0.0 109.621 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -98.48 20.49 12.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -144.87 18.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.373 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -82.97 145.81 29.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 107.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 40' ' ' PRO . . . -152.82 153.41 33.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.407 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 47.4 t -42.2 100.31 0.22 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ALA . 15.0 Cg_exo -67.94 -4.87 13.24 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.3 3.333 . . . . 0.0 109.595 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.612 ' CG2' ' CG ' ' A' ' 11' ' ' TYR . 61.6 t -85.54 -66.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -100.19 -45.5 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.584 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 137.66 -32.58 2.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.584 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -24.68 133.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -90.53 38.65 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.34 9.57 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.64 -23.14 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -70.5 151.38 45.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' OE2' ' CG2' ' A' ' 7' ' ' THR . 5.7 pt-20 -143.89 124.15 13.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -42.62 100.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 122.104 0.954 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' A' ' 51' ' ' LYS . 64.2 m-85 -132.87 122.91 25.08 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.754 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.7 p -117.86 147.54 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.1 t -75.14 148.07 39.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.1 p -103.52 16.75 25.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.2 t -111.47 -45.14 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.2 -68.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.8 62.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.486 ' HB2' ' CG2' ' A' ' 41' ' ' VAL . 43.3 t80 -102.55 98.89 8.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.961 -0.62 . . . . 0.0 109.807 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 95.07 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' CD2' ' HD1' ' A' ' 30' ' ' PHE . 67.5 t80 -73.26 141.69 47.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -128.54 141.74 42.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.45 -36.9 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.335 3.356 . . . . 0.0 109.575 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.41 -23.71 58.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.14 -50.96 4.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.22 -146.89 28.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 122.063 0.935 . . . . 0.0 109.319 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.5 mm -128.89 138.05 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -95.03 155.5 38.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -63.41 134.8 46.61 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.301 3.334 . . . . 0.0 109.571 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.07 44.29 6.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.9 m -113.53 121.84 45.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.416 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -56.94 150.76 16.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HD1' ' CD2' ' A' ' 13' ' ' TYR . 82.6 t80 -76.42 -3.35 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -101.47 -21.49 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.5 0.44 55.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.59 145.35 77.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.3 165.27 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.314 3.343 . . . . 0.0 109.583 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -98.35 22.51 9.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.8 20.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -85.59 144.98 27.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 108.022 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -151.61 153.11 33.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.441 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 48.8 t -42.98 100.68 0.23 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.3 Cg_exo -69.05 -2.36 9.52 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.31 3.34 . . . . 0.0 109.569 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.486 ' CG2' ' HB2' ' A' ' 11' ' ' TYR . 44.7 t -87.74 -62.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -106.77 -39.17 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 108.251 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 133.42 -29.83 3.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -26.11 135.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -60.28 -171.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -91.08 36.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -117.6 -49.87 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -40.26 -60.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ALA . 85.3 m-85 -36.07 149.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.4 pt-20 -149.58 122.01 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -44.63 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 122.068 0.937 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' A' ' 30' ' ' PHE . 37.7 m-85 -119.67 128.86 54.22 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.87 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.87 135.73 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.3 t -71.01 148.84 47.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 108.333 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.4 p -105.02 20.49 18.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 44' ' ' ALA . 79.0 t -116.01 -46.56 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.17 -67.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 108.326 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 166.92 -56.33 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.701 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.0 t80 35.29 -151.26 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.972 -0.614 . . . . 0.0 109.851 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 1.5 pt-20 163.58 82.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -77.71 145.18 36.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.804 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' GLY . 7.0 m-20 -140.99 139.61 19.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -80.94 -17.33 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.351 3.367 . . . . 0.0 109.563 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.32 -41.53 56.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.74 -36.48 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.88 -139.71 23.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 122.057 0.932 . . . . 0.0 109.295 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mm -125.76 145.15 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 153.02 40.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.22 132.68 39.94 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.338 3.359 . . . . 0.0 109.564 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.62 48.6 4.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.4 m -116.88 122.9 45.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 161.72 12.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.454 ' CD2' ' CE2' ' A' ' 4' ' ' TYR . 76.4 t80 -84.81 4.07 34.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -6.4 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -104.45 -8.71 18.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' PRO . 62.7 mt -49.85 146.72 7.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 33' ' ' LEU . 78.9 Cg_exo -41.11 163.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.311 3.34 . . . . 0.0 109.608 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.04 23.91 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -151.7 22.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -87.29 145.21 26.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -153.28 152.45 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' GLY . 48.8 t -43.32 100.81 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 15.9 Cg_exo -67.44 -2.02 7.55 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.343 3.362 . . . . 0.0 109.559 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.701 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 32.9 t -89.16 -64.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.301 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.8 p -103.22 -38.12 7.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.47 -29.42 3.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.595 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -23.55 131.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 30' ' ' PHE . 15.1 ttpp -92.28 30.92 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.01 -43.9 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -43.86 -62.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' ALA . 84.3 m-85 -36.53 149.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.3 pt-20 -149.09 122.31 8.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLU . 18.4 ttpt -40.2 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.419 ' CG1' ' OD1' ' A' ' 14' ' ' ASP . 3.1 mp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 122.103 0.954 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -118.5 124.28 47.18 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.814 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.69 136.44 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 43.7 t -71.13 149.23 46.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 108.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -104.7 21.35 17.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.392 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.431 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 87.8 t -117.83 -47.18 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -120.32 -68.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 168.26 -54.68 0.22 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.701 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.1 t80 34.68 -150.18 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.964 -0.618 . . . . 0.0 109.841 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 163.08 80.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.341 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -72.16 144.96 48.39 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.832 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' OD1' ' CG1' ' A' ' 3' ' ' ILE . 2.3 m-20 -137.23 137.24 22.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -82.72 -39.36 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.303 3.335 . . . . 0.0 109.606 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.05 -26.49 63.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -97.15 -52.16 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.39 -155.01 39.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 122.086 0.946 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.1 mm -126.59 145.4 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.54 150.18 37.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.43 123.49 13.49 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.6 57.13 1.56 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 m -123.88 132.19 53.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -72.34 153.16 41.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -75.27 -0.28 19.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.45 -19.41 13.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -90.53 -1.03 57.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' PRO . 50.0 mt -49.82 146.48 7.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 30.7 Cg_exo -31.87 -70.82 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.35 3.367 . . . . 0.0 109.572 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 2.6 m-20 151.8 -49.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.44 21.43 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.471 ' HB3' ' CE ' ' A' ' 46' ' ' LYS . 75.2 t90 -78.86 138.79 38.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -145.32 154.31 42.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' GLY . 49.5 t -44.43 101.34 0.25 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 108.266 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 14.9 Cg_exo -68.06 -2.72 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.358 3.372 . . . . 0.0 109.581 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.701 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 35.0 t -87.95 -62.93 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.431 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 27.3 p -105.18 -40.02 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.619 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 132.66 -30.52 3.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.619 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -21.64 128.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.78 -171.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.471 ' CE ' ' HB3' ' A' ' 37' ' ' TRP . 11.6 ttmt -92.83 30.34 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -116.66 -39.05 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -45.18 -65.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ALA . 91.6 m-85 -35.78 149.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.6 pt-20 -148.3 122.39 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -40.51 98.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 122.099 0.952 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 34.4 m-85 -132.5 139.75 48.06 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.833 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 p -128.52 141.49 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.08 148.33 39.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.275 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' ALA . 7.3 p -103.56 15.23 29.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 44' ' ' ALA . 40.2 t -109.54 -45.18 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.93 -68.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.281 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.2 62.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.491 ' HB2' ' CG2' ' A' ' 41' ' ' VAL . 45.8 t80 -101.01 100.77 11.42 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.026 -0.587 . . . . 0.0 109.878 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.31 89.17 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 4' ' ' TYR . 72.8 t80 -69.29 144.19 53.64 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.832 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.28 140.5 38.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -83.46 -23.56 3.35 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.271 3.314 . . . . 0.0 109.56 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.18 -31.99 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 -40.86 7.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.2 -127.47 8.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 122.061 0.934 . . . . 0.0 109.294 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.5 mm -137.04 131.72 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -106.76 146.75 33.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.93 135.96 13.8 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.357 3.371 . . . . 0.0 109.573 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.37 48.49 4.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.6 m -124.85 121.47 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.04 148.91 42.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -72.71 -2.77 21.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.14 -22.74 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.14 0.54 53.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.8 mt -59.87 144.55 85.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.162 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -43.36 167.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.355 3.37 . . . . 0.0 109.571 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -98.84 21.25 11.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -145.87 18.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -85.43 142.36 29.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -149.1 154.05 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' GLY . 50.1 t -42.67 100.52 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.5 Cg_exo -68.7 -2.77 9.96 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.34 3.36 . . . . 0.0 109.612 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 11' ' ' TYR . 43.6 t -87.13 -61.31 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.9 p -106.58 -40.91 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.574 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 132.43 -30.51 3.14 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.574 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -26.79 136.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.43 -170.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -90.96 25.98 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -119.87 -5.42 10.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . . . -90.73 17.39 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -115.08 150.67 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -148.97 122.74 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -40.38 105.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 122.073 0.939 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -109.16 135.26 50.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.867 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -116.36 132.31 66.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.459 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 48.6 t -68.64 150.55 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 p -106.0 20.33 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.497 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 83.3 t -117.54 -48.53 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.15 -69.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 168.81 -55.42 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.686 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.1 t80 35.33 -151.3 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.009 -0.596 . . . . 0.0 109.811 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 163.39 79.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -64.33 119.07 9.64 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.863 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -111.73 102.24 53.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.29 -18.01 17.35 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.322 3.348 . . . . 0.0 109.62 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.95 -32.81 65.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -41.87 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.57 -120.98 6.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 122.048 0.928 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.4 mm -134.02 145.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -96.62 150.6 37.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -59.09 115.5 2.6 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.316 3.344 . . . . 0.0 109.584 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.9 61.16 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.2 m -123.26 133.31 54.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.34 164.6 26.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -84.43 1.15 46.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -108.57 -7.23 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.52 1.91 27.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' HB2' ' NZ ' ' A' ' 46' ' ' LYS . 51.7 mt -54.72 146.55 35.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 13.1 Cg_exo -33.49 -70.13 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.333 3.355 . . . . 0.0 109.547 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 150.7 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.92 22.28 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -78.3 143.72 36.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -150.41 152.09 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -44.3 101.38 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 14.7 Cg_exo -68.23 -3.91 11.71 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.337 3.358 . . . . 0.0 109.559 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.686 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 47.8 t -87.35 -67.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.497 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 29.2 p -96.82 -45.82 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.614 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.57 -33.15 2.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.614 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -21.12 128.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -52.51 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 33' ' ' LEU . 11.1 ttpt -92.34 30.55 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -130.95 33.87 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.09 -42.19 2.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 71.9 m-85 -55.17 150.44 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -145.73 123.6 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -47.03 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 14' ' ' ASP . 2.7 mm . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 122.107 0.956 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 13' ' ' TYR . 55.2 m-85 -130.78 139.04 50.19 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.842 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 p -132.59 147.09 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.3 t -77.82 148.56 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 48' ' ' ALA . 5.6 p -103.27 13.33 34.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.3 t -107.66 -45.96 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -117.83 -67.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.25 62.9 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.138 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.533 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 13.8 t80 -111.67 89.6 3.1 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.875 -0.584 . . . . 0.0 109.81 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 109.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' TYR . 37.1 t80 -84.83 115.88 22.98 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.82 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -94.66 139.82 22.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -86.97 -29.36 0.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.313 3.342 . . . . 0.0 109.608 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.88 -22.74 58.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.35 -49.96 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.67 -130.88 11.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 CA-C-O 122.012 0.911 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.0 mm -121.53 143.95 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -90.43 157.67 44.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.62 135.72 36.88 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.294 3.329 . . . . 0.0 109.619 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.26 40.18 9.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 m -109.94 121.97 46.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -60.24 154.87 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 30' ' ' PHE . 73.2 t80 -80.17 4.01 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -106.81 -16.69 14.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -95.67 3.77 53.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.9 mt -62.62 145.16 95.53 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -43.6 165.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.252 3.301 . . . . 0.0 109.598 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -98.03 20.83 11.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -144.25 17.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -84.13 145.63 28.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.424 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -151.5 150.82 30.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLY . 45.2 t -43.62 100.86 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 14.0 Cg_exo -68.53 -4.09 12.36 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.332 3.355 . . . . 0.0 109.619 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.467 HG22 ' CG ' ' A' ' 11' ' ' TYR . 52.3 t -86.25 -61.59 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.36 -43.07 5.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 108.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.12 -31.79 2.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.581 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -25.56 134.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.3 p -60.4 -173.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -90.54 38.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.24 19.5 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -112.97 -29.98 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -66.37 151.55 46.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -145.72 123.76 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 108.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 122.127 0.965 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -116.36 124.0 49.0 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.818 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.457 ' CG1' ' HA ' ' A' ' 52' ' ' GLN . 9.7 p -99.2 130.2 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 37.1 t -65.35 148.44 51.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 t -111.7 19.68 17.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.554 ' CG2' ' CB ' ' A' ' 44' ' ' ALA . 74.9 t -114.48 -46.82 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -126.28 -65.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 171.64 -62.71 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CD1' HG22 ' A' ' 41' ' ' VAL . 3.1 t80 34.97 -150.79 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.027 -0.586 . . . . 0.0 109.817 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 169.19 89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -80.94 121.71 26.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' LYS . 1.4 m-20 -120.72 111.49 34.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.15 -21.41 4.22 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.264 3.309 . . . . 0.0 109.659 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.79 -30.78 61.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -93.71 -46.32 7.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.34 -140.52 19.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 122.11 0.957 . . . . 0.0 109.321 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.7 mm -136.48 141.84 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.62 145.42 30.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -45.99 121.97 4.82 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.316 3.344 . . . . 0.0 109.581 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.04 65.68 1.22 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.5 m -130.83 121.29 25.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.351 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 151.84 38.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CD2' ' O ' ' A' ' 30' ' ' PHE . 65.6 t80 -76.21 0.62 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -102.52 -11.65 18.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -102.22 8.03 40.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 30' ' ' PHE . 68.8 mt -62.91 143.66 97.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 81.0 Cg_exo -33.83 -69.48 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.324 3.349 . . . . 0.0 109.591 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 5.4 m-20 153.65 -47.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -97.34 28.74 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.407 ' CZ3' ' CE2' ' A' ' 49' ' ' PHE . 88.3 t90 -73.62 151.77 40.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 107.937 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.42 167.65 25.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.8 t -71.0 115.18 33.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 108.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -55.83 -10.85 4.43 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.296 3.331 . . . . 0.0 109.62 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.553 HG22 ' CD1' ' A' ' 11' ' ' TYR . 39.5 t -87.56 -68.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 8.4 p -93.36 -47.07 7.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 97.08 49.9 1.83 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.554 ' CB ' ' CG2' ' A' ' 8' ' ' VAL . . . -89.77 152.02 21.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.73 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -52.44 139.35 25.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -44.66 -26.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 45' ' ' SER . 54.2 m-20 -57.2 -40.02 76.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' SER . . . -39.26 -84.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 96.0 m-85 -33.93 131.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -147.84 72.73 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.23 147.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HA ' ' CG1' ' A' ' 5' ' ' VAL . 2.0 pt20 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 122.122 0.963 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 30' ' ' PHE . 25.7 m-85 -117.95 142.36 47.43 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.787 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.25 127.25 75.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 20.7 t -69.33 146.82 51.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -109.59 14.05 23.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 110.4 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.505 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 84.3 t -107.61 -47.88 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -123.65 -65.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 108.288 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.8 61.41 0.1 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.604 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 7.6 t80 -114.95 91.44 3.62 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.825 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.09 117.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 43.9 t80 -83.43 67.32 9.28 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.835 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -56.32 111.21 2.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.41 -21.6 14.17 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.336 3.358 . . . . 0.0 109.606 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.53 -24.26 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -94.41 -17.68 22.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.28 -127.57 4.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 122.063 0.935 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.5 mm -134.18 143.87 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -114.91 145.39 33.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.33 132.79 15.64 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.296 3.331 . . . . 0.0 109.587 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.2 48.96 3.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.4 m -125.52 119.09 27.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -61.9 149.87 39.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.572 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 22.8 t80 -73.23 -8.14 54.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -92.93 -12.08 31.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -101.76 9.53 40.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.444 HD13 ' CG ' ' A' ' 30' ' ' PHE . 71.5 mt -67.39 144.29 97.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 77.6 Cg_exo -38.19 -69.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.301 3.334 . . . . 0.0 109.628 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 153.75 -46.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -92.47 25.32 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.421 ' CZ3' ' CE1' ' A' ' 49' ' ' PHE . 90.1 t90 -68.65 160.73 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.75 161.13 41.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.7 t -65.4 114.5 15.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -54.74 -12.58 4.73 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.294 3.329 . . . . 0.0 109.565 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.512 HG22 ' CG ' ' A' ' 11' ' ' TYR . 44.2 t -85.6 -67.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.505 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 9.7 p -93.76 -47.69 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.347 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 98.35 47.42 2.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.469 ' CB ' ' CG2' ' A' ' 8' ' ' VAL . . . -86.66 163.68 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -57.52 139.77 52.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -51.01 -21.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -85.64 47.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.09 -44.65 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 61.6 m-85 -63.65 151.77 40.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -143.31 124.55 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.904 ' O ' ' OXT' ' A' ' 52' ' ' GLN . 4.2 ttpm? -43.62 101.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.904 ' OXT' ' O ' ' A' ' 51' ' ' LYS . 16.3 pt20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 122.081 0.943 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 31.6 m-85 -114.35 131.13 56.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.776 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.459 HG22 ' CB ' ' A' ' 52' ' ' GLN . 39.2 t -117.05 133.89 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.63 148.29 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 p -105.38 20.84 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.409 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 90.6 t -116.08 -46.99 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.32 -68.01 0.94 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 166.68 -54.03 0.24 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.695 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.2 t80 33.87 -148.08 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.014 -0.593 . . . . 0.0 109.799 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 159.61 84.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -70.18 118.69 13.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.787 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.45 102.67 53.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.33 -17.01 14.75 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.334 3.356 . . . . 0.0 109.582 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.7 -41.7 52.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.96 -45.66 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.2 -140.28 20.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.471 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 CA-C-O 122.073 0.939 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.471 ' HB ' ' CB ' ' A' ' 19' ' ' ASP . 9.3 mm -134.17 145.08 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.96 152.27 38.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -58.66 123.9 14.58 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.368 3.379 . . . . 0.0 109.581 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.12 57.04 1.52 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -122.2 139.99 53.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.359 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 175.14 10.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -93.26 -10.54 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -10.98 26.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -98.47 -12.38 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 34' ' ' PRO . 56.4 mt -51.51 146.42 12.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' LEU . 95.5 Cg_exo -42.07 165.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.318 3.345 . . . . 0.0 109.571 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.05 22.56 9.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.7 20.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -86.89 145.86 26.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 108.026 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -153.74 152.41 30.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 43' ' ' GLY . 48.3 t -43.68 100.92 0.24 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 15.9 Cg_exo -67.4 -2.3 8.0 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.308 3.339 . . . . 0.0 109.62 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.695 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 34.9 t -88.92 -64.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.409 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 26.6 p -103.4 -38.51 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.603 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.46 -29.13 3.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.603 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -23.05 131.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.361 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.9 p -56.91 -171.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -92.15 29.67 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -115.73 -44.25 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -41.06 -64.46 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' ALA . 88.4 m-85 -36.24 149.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.9 pt-20 -148.89 123.19 9.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 2.8 mtpm? -40.25 99.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.502 ' OXT' ' OE1' ' A' ' 52' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.228 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.0 mt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 122.116 0.96 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -114.18 141.67 47.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.85 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 1.13 HG22 ' OXT' ' A' ' 52' ' ' GLN . 61.6 t -129.06 138.83 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 45.0 t -72.04 150.87 43.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.9 p -105.94 18.47 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 44' ' ' ALA . 60.4 t -114.92 -47.48 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.15 -68.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 11' ' ' TYR . . . 168.42 -59.13 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.692 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.1 t80 37.02 -155.28 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.034 -0.583 . . . . 0.0 109.817 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 169.59 87.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -82.54 145.69 29.61 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.811 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' GLY . 4.1 m-20 -136.99 140.93 32.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -84.14 -17.71 5.51 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.273 3.315 . . . . 0.0 109.588 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.47 -40.76 49.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 -34.74 9.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 77.41 -136.53 18.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 122.066 0.936 . . . . 0.0 109.307 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.1 mm -133.89 144.54 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.0 156.35 38.02 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -64.39 137.08 53.89 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.296 3.331 . . . . 0.0 109.598 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.15 42.27 9.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.4 m -109.79 120.91 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.366 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -63.81 147.53 51.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -68.64 -17.82 64.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -7.83 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -100.51 -10.91 20.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' PRO . 51.7 mt -50.23 147.6 7.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 33' ' ' LEU . 91.6 Cg_exo -41.78 164.64 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.288 3.326 . . . . 0.0 109.603 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -98.63 21.87 10.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -145.7 18.35 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -84.8 149.46 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.429 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -157.1 149.72 23.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' O ' ' HA3' ' A' ' 43' ' ' GLY . 42.1 t -43.78 101.02 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 108.345 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 15.6 Cg_exo -67.68 -3.02 9.51 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.367 3.378 . . . . 0.0 109.59 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.692 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 47.2 t -88.57 -67.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.48 -42.73 7.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.71 -30.86 3.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.569 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -25.28 135.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.3 p -60.88 -172.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -91.85 31.02 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.74 34.86 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -128.87 -44.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 69.1 m-85 -52.78 151.66 4.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -160.62 140.26 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -40.23 102.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 1.13 ' OXT' HG22 ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 122.103 0.954 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -140.33 126.8 20.13 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.812 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 t -123.05 150.07 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.6 t -73.05 150.17 42.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.297 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 9.9 t -111.4 17.89 19.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -111.06 -46.21 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.47 -63.06 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.1 62.61 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.518 ' CG ' HG22 ' A' ' 41' ' ' VAL . 71.0 t80 -114.46 113.11 24.04 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.824 -0.608 . . . . 0.0 109.865 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -87.47 114.45 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CD2' ' HD1' ' A' ' 30' ' ' PHE . 67.6 t80 -84.5 140.46 31.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.827 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.17 142.2 37.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -85.67 -23.6 2.12 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.291 3.327 . . . . 0.0 109.556 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.38 -39.63 38.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 -42.88 9.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.8 -126.5 7.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.082 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 122.08 0.943 . . . . 0.0 109.33 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.1 mm -137.24 141.68 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 143.91 29.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.93 133.08 14.35 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.334 3.356 . . . . 0.0 109.608 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.47 50.98 3.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 m -127.56 120.62 28.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -57.15 159.74 4.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.408 ' HD1' ' CD2' ' A' ' 13' ' ' TYR . 78.8 t80 -82.95 -4.05 57.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -100.43 -23.05 14.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.79 -0.04 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.8 mt -59.43 145.49 81.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -43.47 167.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.305 3.337 . . . . 0.0 109.597 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -100.22 21.41 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -145.9 19.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -83.91 145.26 28.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 107.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.86 153.37 35.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.42 ' O ' ' HA3' ' A' ' 43' ' ' GLY . 45.9 t -43.18 100.99 0.23 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.405 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.2 Cg_exo -68.92 -2.37 9.44 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.28 3.32 . . . . 0.0 109.612 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.518 HG22 ' CG ' ' A' ' 11' ' ' TYR . 45.7 t -88.67 -68.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.7 p -99.27 -43.09 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.73 -31.95 2.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.569 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -26.77 136.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -89.03 22.96 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.72 -7.65 10.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.504 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . -80.18 -2.8 46.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -98.81 133.59 42.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.0 pt-20 -128.54 127.33 42.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -38.5 98.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 122.1 0.952 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 30' ' ' PHE . 61.4 m-85 -122.47 140.74 52.4 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.813 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.4 t -124.55 138.46 53.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 27.3 t -75.12 147.51 40.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 108.225 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -107.02 14.61 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.507 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 79.1 t -109.61 -46.51 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.65 -68.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.152 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.68 61.99 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.554 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 9.5 t80 -109.78 89.63 3.07 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.979 -0.611 . . . . 0.0 109.826 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -47.84 117.94 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -90.83 102.12 14.88 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.841 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.54 135.29 64.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -86.76 -26.08 1.03 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.317 3.345 . . . . 0.0 109.604 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.54 -22.9 53.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.39 -44.93 5.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.04 -131.85 11.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 122.089 0.947 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.4 mm -137.94 141.04 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.36 147.37 37.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.48 134.49 16.33 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.374 3.383 . . . . 0.0 109.571 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.91 53.32 3.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -128.43 119.5 25.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 0.0 110.419 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -64.6 144.56 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 33.1 t80 -65.64 -10.59 37.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -89.49 8.33 31.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -125.68 12.61 7.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.486 HD13 ' CG ' ' A' ' 30' ' ' PHE . 47.1 mt -76.59 140.61 68.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' LEU . 73.7 Cg_exo -41.64 164.39 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.303 3.336 . . . . 0.0 109.581 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -93.21 23.32 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.15 22.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -78.17 156.7 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 108.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.36 163.68 39.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' ' 43' ' ' GLY . 53.9 t -65.08 114.23 14.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -54.97 -13.42 6.36 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.308 3.338 . . . . 0.0 109.559 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.47 HG22 ' CB ' ' A' ' 11' ' ' TYR . 43.8 t -83.95 -66.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.507 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 9.4 p -96.7 -48.92 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 100.19 49.08 1.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.498 ' CB ' ' CG2' ' A' ' 8' ' ' VAL . . . -86.67 165.28 16.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 47' ' ' ASP . 13.8 m -59.51 138.85 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.942 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -49.59 -22.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 45' ' ' SER . 5.0 t70 -84.57 48.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.34 -45.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 61.0 m-85 -63.03 151.69 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.92 ' OE1' ' OXT' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -158.56 140.19 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 4.5 mtmp? -39.94 104.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.92 ' OXT' ' OE1' ' A' ' 50' ' ' GLU . 1.2 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 122.123 0.963 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -124.82 140.83 52.57 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.829 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 10' ' ' GLY . 99.0 t -124.46 140.06 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.56 147.18 44.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' ALA . 6.9 p -102.39 13.63 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.5 t -107.7 -46.94 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -119.01 -68.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 108.279 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 166.45 -53.71 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.63 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.4 t80 33.36 -147.18 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.977 -0.612 . . . . 0.0 109.815 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 160.04 79.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -66.46 122.48 17.64 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.828 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -111.25 103.08 54.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -49.37 -24.05 8.08 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.272 3.315 . . . . 0.0 109.618 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -31.37 59.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -94.91 -49.94 5.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.19 -120.81 5.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.459 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 122.096 0.95 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.459 ' HB ' ' CB ' ' A' ' 19' ' ' ASP . 11.5 mm -131.15 145.44 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.26 150.07 40.83 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.17 114.06 2.16 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.341 3.361 . . . . 0.0 109.595 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.53 60.78 0.98 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -120.62 138.46 53.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -73.4 149.32 42.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -74.52 -0.89 19.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.48 -21.4 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -90.0 -6.64 55.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.4 mt -45.94 148.84 1.31 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.561 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 59.2 Cg_exo -47.7 -18.73 1.07 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.328 3.352 . . . . 0.0 109.575 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 4.8 m-20 87.74 -45.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.27 -3.11 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -67.75 140.59 56.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.02 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -145.14 154.24 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.422 ' O ' ' HA3' ' A' ' 43' ' ' GLY . 44.2 t -45.62 102.09 0.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 13.9 Cg_exo -68.69 -3.18 10.71 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.302 3.335 . . . . 0.0 109.6 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.63 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 44.7 t -88.47 -68.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.21 -44.22 7.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.279 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.602 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.74 -32.58 2.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.602 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -23.25 131.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -53.53 -171.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -89.59 24.89 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -120.03 -6.0 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -91.12 22.07 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -121.04 150.82 40.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' LYS . 4.3 tt0 -155.37 133.77 11.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -39.96 102.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 122.121 0.963 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -131.95 125.78 32.46 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.811 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.7 p -120.39 147.87 23.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.9 t -76.21 148.93 37.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.282 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -104.43 14.57 29.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.466 HG22 ' CB ' ' A' ' 44' ' ' ALA . 42.6 t -108.5 -45.62 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -116.89 -66.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 108.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.18 62.47 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.474 ' CB ' HG22 ' A' ' 41' ' ' VAL . 45.2 t80 -109.18 95.11 5.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.015 -0.593 . . . . 0.0 109.825 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.0 101.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -65.09 121.68 15.28 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.835 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -106.94 106.54 58.48 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.23 -28.77 53.8 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.305 3.336 . . . . 0.0 109.573 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.34 58.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.85 -49.46 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.21 -123.96 6.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 122.084 0.945 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.0 mm -136.11 125.01 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.14 144.07 27.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.7 122.21 4.77 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.289 3.326 . . . . 0.0 109.581 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.02 59.78 1.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.7 m -126.92 121.38 31.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 149.8 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -75.65 -6.97 53.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -98.21 -21.95 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -86.87 1.23 53.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.1 mt -61.19 143.73 92.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -43.22 166.69 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.334 3.356 . . . . 0.0 109.61 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -98.46 21.06 11.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -145.99 19.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -84.14 142.98 29.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.027 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -148.9 153.36 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.424 ' O ' ' HA3' ' A' ' 43' ' ' GLY . 44.9 t -43.07 100.73 0.23 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 108.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.7 Cg_exo -68.77 -3.44 11.31 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.303 3.335 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.474 HG22 ' CB ' ' A' ' 11' ' ' TYR . 47.9 t -87.02 -66.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.22 -42.68 6.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.26 -32.17 2.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.563 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.26 136.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.97 -168.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -89.77 24.74 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.31 -6.46 10.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.76 12.76 12.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -112.69 151.79 29.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 52' ' ' GLN . 7.1 pt-20 -146.0 123.49 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.04 100.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 122.052 0.929 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -136.24 127.81 28.76 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.846 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.937 ' CG1' ' OXT' ' A' ' 52' ' ' GLN . 5.1 p -124.85 150.96 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.0 t -75.75 146.83 39.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.246 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 p -101.84 12.09 37.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.354 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.443 HG22 ' CB ' ' A' ' 44' ' ' ALA . 30.7 t -105.42 -45.91 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -116.79 -66.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.12 62.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.474 ' CB ' HG22 ' A' ' 41' ' ' VAL . 43.7 t80 -111.12 97.49 6.84 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.001 -0.599 . . . . 0.0 109.865 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -68.55 109.12 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -83.2 137.26 34.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.849 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.89 140.79 31.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.3 -30.36 0.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.314 3.343 . . . . 0.0 109.616 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.02 -25.54 59.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 -36.06 7.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.31 -138.51 41.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 24' ' ' ILE . 36.2 m-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 122.051 0.929 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 8.6 mm -134.84 140.86 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.14 143.15 26.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.92 130.79 13.3 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 0.0 109.561 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.3 52.23 2.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.5 m -127.4 122.04 32.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 161.94 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.492 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 67.5 t80 -81.74 7.37 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.01 -17.58 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -94.12 3.04 55.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.5 mt -64.15 144.05 98.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.29 165.71 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.356 3.37 . . . . 0.0 109.581 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -97.65 20.24 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.82 17.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -83.79 142.09 30.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -146.86 154.27 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.433 ' O ' ' HA3' ' A' ' 43' ' ' GLY . 49.6 t -44.27 101.55 0.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 14.2 Cg_exo -68.31 -3.06 10.15 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.271 3.314 . . . . 0.0 109.6 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.474 HG22 ' CB ' ' A' ' 11' ' ' TYR . 36.7 t -87.66 -66.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.9 p -101.32 -41.9 6.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.575 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 133.91 -30.31 2.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.575 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -26.21 135.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -53.86 -170.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -90.39 25.07 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -4.61 9.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . . . -89.11 14.67 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -113.91 151.38 32.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -161.04 144.19 12.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.91 103.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.937 ' OXT' ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 122.129 0.966 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 35.4 m-85 -123.47 135.89 54.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.814 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 t -111.8 137.98 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 18.5 t -76.0 144.21 41.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 108.264 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -101.56 6.77 42.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' CB ' ' A' ' 44' ' ' ALA . 95.4 t -99.32 -45.68 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -126.38 -68.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.259 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 170.32 -56.22 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.093 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.8 t80 33.74 -146.81 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.97 -0.615 . . . . 0.0 109.834 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER 164.17 84.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -74.31 119.26 18.28 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.854 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -110.86 105.17 57.01 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.02 -20.01 6.61 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 124.329 3.352 . . . . 0.0 109.628 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -21.75 57.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.5 -43.95 5.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.68 -142.15 15.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD2' ' NE1' ' A' ' 37' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 122.099 0.952 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.409 ' HB ' ' CB ' ' A' ' 19' ' ' ASP . 4.7 mm -135.36 139.01 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -96.86 176.34 2.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 25' ' ' LYS . 8.5 Cg_exo -74.07 138.74 25.94 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.248 3.299 . . . . 0.0 109.609 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.75 46.88 36.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.4 m -104.68 120.2 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.401 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -67.1 150.29 49.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 58.4 t80 -72.42 -3.15 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.86 -18.99 20.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.27 7.99 43.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 60.1 mt -66.08 145.26 99.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 19.2 Cg_endo -59.18 -12.78 17.08 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.29 3.327 . . . . 0.0 109.588 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 16.3 t0 85.0 -50.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.19 -12.44 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.446 ' NE1' ' OD2' ' A' ' 19' ' ' ASP . 92.6 t90 -56.07 153.98 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.014 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -153.18 156.7 39.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' GLY . 42.3 t -57.66 111.07 2.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.288 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 36.5 Cg_exo -55.93 -11.62 5.77 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.331 3.354 . . . . 0.0 109.604 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.482 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 48.4 t -84.01 -70.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.4 p -94.51 -45.7 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 98.17 48.57 1.86 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.539 ' CB ' ' CG2' ' A' ' 8' ' ' VAL . . . -86.05 156.97 20.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.79 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 47' ' ' ASP . 22.0 p -53.23 135.48 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.469 ' CE ' ' HA ' ' A' ' 35' ' ' ASP . 14.2 ttpp -50.35 -21.82 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 45' ' ' SER . 1.1 t70 -86.5 44.82 1.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.37 -44.2 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.373 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 55.5 m-85 -59.14 150.15 26.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -145.02 123.6 12.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.602 ' O ' ' OXT' ' A' ' 52' ' ' GLN . 29.4 mtpt -39.75 106.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.749 ' HG3' ' OXT' ' A' ' 52' ' ' GLN . 24.4 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.47 HG23 ' OXT' ' A' ' 52' ' ' GLN . 19.7 mt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 122.102 0.954 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -131.64 134.74 46.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.833 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.6 t -130.54 148.9 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.4 t -75.63 148.32 38.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.324 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -104.89 14.66 29.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.5 t -108.27 -45.91 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -117.73 -66.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.93 61.98 0.05 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.497 ' HB2' ' CG2' ' A' ' 41' ' ' VAL . 59.2 t80 -107.51 105.06 14.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.011 -0.595 . . . . 0.0 109.871 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -80.99 105.46 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CD2' ' HD1' ' A' ' 30' ' ' PHE . 67.3 t80 -77.88 135.02 37.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.803 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.66 141.7 31.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -86.43 -24.79 1.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.325 3.35 . . . . 0.0 109.562 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.43 62.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -99.89 -46.0 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.05 -124.17 6.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 122.114 0.959 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.1 mm -135.88 139.24 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 145.12 30.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.4 125.43 9.05 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 124.293 3.329 . . . . 0.0 109.606 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.01 59.74 1.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -129.14 122.0 28.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.14 156.17 15.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.408 ' HD1' ' CD2' ' A' ' 13' ' ' TYR . 76.4 t80 -78.29 -7.23 56.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.04 -21.03 17.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.35 2.18 53.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.47 145.13 91.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.46 165.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.31 3.34 . . . . 0.0 109.607 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.26 22.58 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -148.81 20.43 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -85.54 143.81 28.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.965 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.06 153.52 36.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.427 ' O ' ' HA3' ' A' ' 43' ' ' GLY . 49.4 t -42.99 100.78 0.23 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.411 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.1 Cg_exo -68.36 -2.93 9.95 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.325 3.35 . . . . 0.0 109.619 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.497 ' CG2' ' HB2' ' A' ' 11' ' ' TYR . 41.0 t -87.61 -66.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.8 p -101.23 -42.17 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.282 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.37 -31.4 2.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.576 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -26.13 135.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -54.13 -170.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -90.16 25.09 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -119.56 -5.47 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.34 17.13 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -114.89 152.06 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -161.85 145.77 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -40.22 102.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.47 ' OXT' HG23 ' A' ' 3' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 122.093 0.949 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -136.94 122.63 19.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.824 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.53 145.36 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.8 t -75.23 147.71 40.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 p -102.75 14.55 31.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.0 t -108.5 -44.79 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -118.03 -66.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 108.251 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.12 62.95 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.545 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 18.2 t80 -112.49 88.83 2.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.003 -0.598 . . . . 0.0 109.827 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -56.4 104.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CD2' ' HD1' ' A' ' 30' ' ' PHE . 60.1 t80 -71.79 140.97 49.68 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.863 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.91 141.62 41.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -87.21 -24.48 1.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.308 3.339 . . . . 0.0 109.632 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.25 -28.12 59.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -103.1 -40.72 6.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.88 -130.75 10.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 122.118 0.961 . . . . 0.0 109.283 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.3 mm -127.06 134.6 65.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -102.55 176.11 1.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 25' ' ' LYS . 13.8 Cg_exo -71.03 133.55 23.46 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.301 3.334 . . . . 0.0 109.56 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.51 49.43 3.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.1 m -125.74 122.99 37.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.76 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -68.54 148.07 51.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.408 ' HD1' ' CD2' ' A' ' 13' ' ' TYR . 66.3 t80 -69.67 -5.64 26.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.59 -17.55 17.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -89.44 -1.02 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.2 mt -58.76 144.48 80.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.7 163.13 22.49 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.3 3.333 . . . . 0.0 109.59 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 87.9 m-20 -90.94 88.58 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 3.8 m-20 156.5 -25.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -48.12 134.19 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 107.968 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -138.47 155.5 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 45.9 t -44.64 101.59 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 12.0 Cg_exo -69.69 -2.41 10.07 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.36 3.373 . . . . 0.0 109.608 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.457 HG22 ' CB ' ' A' ' 11' ' ' TYR . 44.3 t -87.88 -62.19 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.2 p -106.15 -40.66 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.3 -30.2 2.94 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.566 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.22 137.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.743 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -62.77 -171.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -90.87 35.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -117.01 -38.58 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -51.94 -62.28 1.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' ALA . 96.0 m-85 -35.73 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 52' ' ' GLN . 10.2 pt-20 -149.12 122.15 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -40.33 98.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' GLU . 6.0 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 122.115 0.959 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -120.75 130.04 53.87 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.781 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.9 t -114.88 134.4 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.3 t -69.85 149.0 48.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.5 p -104.33 21.33 16.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.364 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.439 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 89.6 t -117.86 -47.05 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.27 -68.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 108.266 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 168.0 -54.2 0.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.69 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.1 t80 34.63 -150.3 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.0 -0.6 . . . . 0.0 109.84 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 162.56 78.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -69.01 143.84 54.25 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.838 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -135.75 138.17 27.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.23 -38.26 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.334 3.356 . . . . 0.0 109.552 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.1 -26.97 63.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.87 -49.3 4.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 72.96 -153.48 48.61 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 122.086 0.946 . . . . 0.0 109.326 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.5 mm -131.98 139.69 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.12 150.74 38.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -58.17 119.54 6.86 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.331 3.354 . . . . 0.0 109.572 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.43 59.61 1.08 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.5 m -125.75 132.49 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -71.71 157.75 37.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -78.69 3.5 16.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -109.01 -29.97 8.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -78.74 -3.7 45.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HB2' ' CE ' ' A' ' 46' ' ' LYS . 58.0 mt -47.83 146.75 3.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.552 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 20.3 Cg_exo -32.6 -70.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.324 3.349 . . . . 0.0 109.591 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 3.7 m-20 151.97 -49.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.11 23.74 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -79.19 139.05 38.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 108.01 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -145.14 155.17 43.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 49.9 t -44.89 101.67 0.27 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.28 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 15.0 Cg_exo -67.92 -2.3 8.45 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.324 3.349 . . . . 0.0 109.623 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.69 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 31.0 t -88.55 -65.12 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 26.3 p -104.08 -37.21 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.41 -28.48 3.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.626 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -20.58 127.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -55.1 -172.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.434 ' CE ' ' HB2' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -92.4 34.23 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.52 -42.95 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -41.91 -65.24 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' ALA . 87.6 m-85 -35.24 149.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' GLN . 9.1 pt-20 -148.22 122.6 9.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.44 98.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.662 ' OXT' ' CG ' ' A' ' 52' ' ' GLN . 1.2 pp0? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.498 0.189 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.38 45.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 mt -101.69 148.04 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -137.19 126.35 24.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.836 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.8 p -123.45 148.26 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -79.5 139.81 37.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.274 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.404 ' CG2' ' OE2' ' A' ' 50' ' ' GLU . 3.1 p -94.04 -3.11 51.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 t -85.81 -45.44 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -117.27 -63.6 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.94 61.26 0.2 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.612 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 4.8 t80 -118.26 95.7 5.0 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.02 -0.59 . . . . 0.0 109.843 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -55.55 117.84 3.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CD2' ' HD1' ' A' ' 30' ' ' PHE . 25.0 t80 -57.92 -45.87 85.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.855 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 17' ' ' LYS . 63.8 m-20 50.22 99.85 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.4 -33.14 36.52 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.289 3.326 . . . . 0.0 109.649 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.03 -21.01 57.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HB2' ' CB ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -87.99 -32.11 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.62 -135.49 4.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -149.95 134.09 9.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.081 0.943 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -87.31 -45.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.297 3.332 . . . . 0.0 109.557 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 22' ' ' SER . 60.4 m-20 -97.99 95.35 7.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER 159.87 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.48 59.15 0.98 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 mm -130.25 140.26 49.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.22 150.33 40.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.68 105.2 0.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.296 3.331 . . . . 0.0 109.59 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.24 65.13 0.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.443 1.089 . . . . 0.0 111.002 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.5 m -121.55 137.17 54.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.14 139.5 56.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' HD1' ' CD2' ' A' ' 13' ' ' TYR . 78.4 t80 -71.26 -4.62 26.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.12 -23.1 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -86.76 -2.61 58.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' PRO . 72.5 mt -58.45 146.96 70.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' LEU . 87.2 Cg_exo -42.31 165.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.323 3.349 . . . . 0.0 109.621 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -98.48 20.49 12.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -144.87 18.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.373 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -82.97 145.81 29.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 107.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 40' ' ' PRO . . . -152.82 153.41 33.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.407 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 47.4 t -42.2 100.31 0.22 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ALA . 15.0 Cg_exo -67.94 -4.87 13.24 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.3 3.333 . . . . 0.0 109.595 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.612 ' CG2' ' CG ' ' A' ' 11' ' ' TYR . 61.6 t -85.54 -66.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -100.19 -45.5 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.584 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 137.66 -32.58 2.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.584 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -24.68 133.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -90.53 38.65 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.34 9.57 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.64 -23.14 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -70.5 151.38 45.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' OE2' ' CG2' ' A' ' 7' ' ' THR . 5.7 pt-20 -143.89 124.15 13.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -42.62 100.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mtt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.47 0.176 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -162.7 133.25 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -111.35 152.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' A' ' 51' ' ' LYS . 64.2 m-85 -132.87 122.91 25.08 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.754 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.7 p -117.86 147.54 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.1 t -75.14 148.07 39.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.1 p -103.52 16.75 25.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.2 t -111.47 -45.14 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.2 -68.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.8 62.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' HB2' ' CG2' ' A' ' 41' ' ' VAL . 43.3 t80 -102.55 98.89 8.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.961 -0.62 . . . . 0.0 109.807 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 95.07 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' CD2' ' HD1' ' A' ' 30' ' ' PHE . 67.5 t80 -73.26 141.69 47.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -128.54 141.74 42.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.45 -36.9 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.335 3.356 . . . . 0.0 109.575 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.41 -23.71 58.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.14 -50.96 4.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.22 -146.89 28.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -143.17 75.16 17.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.063 0.935 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -71.7 54.1 1.95 Allowed 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 124.311 3.341 . . . . 0.0 109.594 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -133.62 -74.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -50.65 73.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.95 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.01 54.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.5 mm -128.89 138.05 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -95.03 155.5 38.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -63.41 134.8 46.61 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.301 3.334 . . . . 0.0 109.571 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.07 44.29 6.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.9 m -113.53 121.84 45.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.416 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -56.94 150.76 16.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HD1' ' CD2' ' A' ' 13' ' ' TYR . 82.6 t80 -76.42 -3.35 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -101.47 -21.49 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.5 0.44 55.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.59 145.35 77.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.3 165.27 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.314 3.343 . . . . 0.0 109.583 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -98.35 22.51 9.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.8 20.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -85.59 144.98 27.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 108.022 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -151.61 153.11 33.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.441 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 48.8 t -42.98 100.68 0.23 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.3 Cg_exo -69.05 -2.36 9.52 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.31 3.34 . . . . 0.0 109.569 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.486 ' CG2' ' HB2' ' A' ' 11' ' ' TYR . 44.7 t -87.74 -62.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -106.77 -39.17 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 108.251 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 133.42 -29.83 3.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -26.11 135.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -60.28 -171.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -91.08 36.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -117.6 -49.87 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -40.26 -60.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ALA . 85.3 m-85 -36.07 149.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.4 pt-20 -149.58 122.01 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -44.63 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.514 0.197 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -171.88 96.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -98.14 149.41 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' A' ' 30' ' ' PHE . 37.7 m-85 -119.67 128.86 54.22 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.87 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -118.87 135.73 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.3 t -71.01 148.84 47.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 108.333 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.4 p -105.02 20.49 18.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 44' ' ' ALA . 79.0 t -116.01 -46.56 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.17 -67.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 108.326 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 166.92 -56.33 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.701 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.0 t80 35.29 -151.26 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.972 -0.614 . . . . 0.0 109.851 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 1.5 pt-20 163.58 82.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -77.71 145.18 36.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.804 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' GLY . 7.0 m-20 -140.99 139.61 19.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -80.94 -17.33 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.351 3.367 . . . . 0.0 109.563 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.32 -41.53 56.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.74 -36.48 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.88 -139.71 23.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -137.85 64.83 43.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 122.057 0.932 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 21.2 Cg_endo -60.73 -164.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.308 3.339 . . . . 0.0 109.673 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 3.2 t70 81.62 33.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t 69.82 95.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.027 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.43 -58.39 0.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.9 mm -125.76 145.15 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 153.02 40.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.22 132.68 39.94 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.338 3.359 . . . . 0.0 109.564 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.62 48.6 4.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.4 m -116.88 122.9 45.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 161.72 12.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.454 ' CD2' ' CE2' ' A' ' 4' ' ' TYR . 76.4 t80 -84.81 4.07 34.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -6.4 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -104.45 -8.71 18.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' PRO . 62.7 mt -49.85 146.72 7.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 33' ' ' LEU . 78.9 Cg_exo -41.11 163.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.311 3.34 . . . . 0.0 109.608 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.04 23.91 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -151.7 22.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -87.29 145.21 26.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -153.28 152.45 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' GLY . 48.8 t -43.32 100.81 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 15.9 Cg_exo -67.44 -2.02 7.55 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.343 3.362 . . . . 0.0 109.559 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.701 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 32.9 t -89.16 -64.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.301 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.8 p -103.22 -38.12 7.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.47 -29.42 3.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.595 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -23.55 131.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 30' ' ' PHE . 15.1 ttpp -92.28 30.92 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.01 -43.9 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -43.86 -62.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' ALA . 84.3 m-85 -36.53 149.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.3 pt-20 -149.09 122.31 8.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLU . 18.4 ttpt -40.2 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 ttp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.511 0.196 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -172.64 135.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.419 ' CG1' ' OD1' ' A' ' 14' ' ' ASP . 3.1 mp -96.16 150.33 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -118.5 124.28 47.18 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.814 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 t -110.69 136.44 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 43.7 t -71.13 149.23 46.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 108.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -104.7 21.35 17.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.392 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 87.8 t -117.83 -47.18 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -120.32 -68.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 168.26 -54.68 0.22 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.701 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.1 t80 34.68 -150.18 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.964 -0.618 . . . . 0.0 109.841 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 163.08 80.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.341 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -72.16 144.96 48.39 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.832 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' OD1' ' CG1' ' A' ' 3' ' ' ILE . 2.3 m-20 -137.23 137.24 22.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -82.72 -39.36 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.303 3.335 . . . . 0.0 109.606 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.05 -26.49 63.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -97.15 -52.16 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.39 -155.01 39.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.21 83.58 65.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 122.086 0.946 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -71.39 96.39 0.73 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.319 3.346 . . . . 0.0 109.616 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 179.26 60.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m 39.57 52.55 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.42 -57.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.1 mm -126.59 145.4 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.54 150.18 37.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.43 123.49 13.49 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.6 57.13 1.56 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 m -123.88 132.19 53.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -72.34 153.16 41.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -75.27 -0.28 19.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.45 -19.41 13.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -90.53 -1.03 57.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' PRO . 50.0 mt -49.82 146.48 7.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 30.7 Cg_exo -31.87 -70.82 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.35 3.367 . . . . 0.0 109.572 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 2.6 m-20 151.8 -49.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.44 21.43 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.471 ' HB3' ' CE ' ' A' ' 46' ' ' LYS . 75.2 t90 -78.86 138.79 38.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -145.32 154.31 42.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' GLY . 49.5 t -44.43 101.34 0.25 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 108.266 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 14.9 Cg_exo -68.06 -2.72 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.358 3.372 . . . . 0.0 109.581 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.701 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 35.0 t -87.95 -62.93 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.431 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 27.3 p -105.18 -40.02 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.619 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 132.66 -30.52 3.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.619 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -21.64 128.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.78 -171.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.471 ' CE ' ' HB3' ' A' ' 37' ' ' TRP . 11.6 ttmt -92.83 30.34 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -116.66 -39.05 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -45.18 -65.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ALA . 91.6 m-85 -35.78 149.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.6 pt-20 -148.3 122.39 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -40.51 98.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.522 0.201 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 165.05 -72.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.0 mt -104.28 149.24 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 34.4 m-85 -132.5 139.75 48.06 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.833 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 p -128.52 141.49 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.08 148.33 39.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.275 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' ALA . 7.3 p -103.56 15.23 29.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 44' ' ' ALA . 40.2 t -109.54 -45.18 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.93 -68.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.281 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.2 62.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.491 ' HB2' ' CG2' ' A' ' 41' ' ' VAL . 45.8 t80 -101.01 100.77 11.42 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.026 -0.587 . . . . 0.0 109.878 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.31 89.17 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 4' ' ' TYR . 72.8 t80 -69.29 144.19 53.64 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.832 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.28 140.5 38.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -83.46 -23.56 3.35 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.271 3.314 . . . . 0.0 109.56 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.18 -31.99 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 -40.86 7.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.2 -127.47 8.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -155.99 75.05 4.96 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.061 0.934 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -76.85 89.61 1.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.34 3.36 . . . . 0.0 109.6 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.1 t70 179.22 -56.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -80.64 -56.94 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.17 47.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.5 mm -137.04 131.72 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -106.76 146.75 33.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.93 135.96 13.8 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.357 3.371 . . . . 0.0 109.573 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.37 48.49 4.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.6 m -124.85 121.47 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.04 148.91 42.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -72.71 -2.77 21.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.14 -22.74 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.14 0.54 53.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.8 mt -59.87 144.55 85.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.162 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -43.36 167.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.355 3.37 . . . . 0.0 109.571 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -98.84 21.25 11.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -145.87 18.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -85.43 142.36 29.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -149.1 154.05 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' GLY . 50.1 t -42.67 100.52 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.5 Cg_exo -68.7 -2.77 9.96 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.34 3.36 . . . . 0.0 109.612 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 11' ' ' TYR . 43.6 t -87.13 -61.31 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.9 p -106.58 -40.91 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.574 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 132.43 -30.51 3.14 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.574 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -26.79 136.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.43 -170.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -90.96 25.98 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -119.87 -5.42 10.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . . . -90.73 17.39 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -115.08 150.67 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -148.97 122.74 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -40.38 105.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.506 0.193 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -118.55 147.14 44.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mt -107.99 147.18 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -109.16 135.26 50.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.867 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -116.36 132.31 66.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.459 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 48.6 t -68.64 150.55 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.8 p -106.0 20.33 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.497 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 83.3 t -117.54 -48.53 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.15 -69.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 168.81 -55.42 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.686 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.1 t80 35.33 -151.3 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.009 -0.596 . . . . 0.0 109.811 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 163.39 79.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -64.33 119.07 9.64 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.863 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -111.73 102.24 53.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.29 -18.01 17.35 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.322 3.348 . . . . 0.0 109.62 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.95 -32.81 65.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -41.87 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.57 -120.98 6.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.53 141.46 6.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 122.048 0.928 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -87.52 -44.82 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.304 3.336 . . . . 0.0 109.604 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -69.56 156.34 39.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 m 76.28 -56.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.22 89.63 0.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.4 mm -134.02 145.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -96.62 150.6 37.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -59.09 115.5 2.6 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.316 3.344 . . . . 0.0 109.584 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.9 61.16 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.2 m -123.26 133.31 54.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.34 164.6 26.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -84.43 1.15 46.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -108.57 -7.23 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.52 1.91 27.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' HB2' ' NZ ' ' A' ' 46' ' ' LYS . 51.7 mt -54.72 146.55 35.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 13.1 Cg_exo -33.49 -70.13 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.333 3.355 . . . . 0.0 109.547 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 150.7 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.92 22.28 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -78.3 143.72 36.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -150.41 152.09 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -44.3 101.38 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 14.7 Cg_exo -68.23 -3.91 11.71 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.337 3.358 . . . . 0.0 109.559 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.686 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 47.8 t -87.35 -67.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 29.2 p -96.82 -45.82 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.614 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.57 -33.15 2.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.614 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -21.12 128.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -52.51 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 33' ' ' LEU . 11.1 ttpt -92.34 30.55 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -130.95 33.87 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.09 -42.19 2.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 71.9 m-85 -55.17 150.44 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -145.73 123.6 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -47.03 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.505 0.193 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -172.84 81.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 14' ' ' ASP . 2.7 mm -106.71 154.67 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 13' ' ' TYR . 55.2 m-85 -130.78 139.04 50.19 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.842 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 p -132.59 147.09 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.3 t -77.82 148.56 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 48' ' ' ALA . 5.6 p -103.27 13.33 34.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.3 t -107.66 -45.96 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -117.83 -67.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.25 62.9 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.138 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.533 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 13.8 t80 -111.67 89.6 3.1 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.875 -0.584 . . . . 0.0 109.81 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 109.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' TYR . 37.1 t80 -84.83 115.88 22.98 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.82 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -94.66 139.82 22.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -86.97 -29.36 0.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.313 3.342 . . . . 0.0 109.608 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.88 -22.74 58.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.35 -49.96 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.67 -130.88 11.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -150.29 64.21 6.56 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.012 0.911 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 13.7 Cg_endo -56.51 -162.0 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.287 3.324 . . . . 0.0 109.592 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 60.39 53.05 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.27 101.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.47 -85.28 0.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.0 mm -121.53 143.95 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -90.43 157.67 44.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.62 135.72 36.88 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.294 3.329 . . . . 0.0 109.619 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.26 40.18 9.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 m -109.94 121.97 46.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -60.24 154.87 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 30' ' ' PHE . 73.2 t80 -80.17 4.01 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -106.81 -16.69 14.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -95.67 3.77 53.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.9 mt -62.62 145.16 95.53 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -43.6 165.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.252 3.301 . . . . 0.0 109.598 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -98.03 20.83 11.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -144.25 17.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -84.13 145.63 28.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.424 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -151.5 150.82 30.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLY . 45.2 t -43.62 100.86 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 14.0 Cg_exo -68.53 -4.09 12.36 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.332 3.355 . . . . 0.0 109.619 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.467 HG22 ' CG ' ' A' ' 11' ' ' TYR . 52.3 t -86.25 -61.59 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.36 -43.07 5.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 108.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.12 -31.79 2.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.581 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -25.56 134.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.3 p -60.4 -173.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -90.54 38.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.24 19.5 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -112.97 -29.98 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -66.37 151.55 46.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -145.72 123.76 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 108.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.482 0.182 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.491 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 27.8 m-20 -103.16 64.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 mp -92.64 148.63 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -116.36 124.0 49.0 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.818 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.457 ' CG1' ' HA ' ' A' ' 52' ' ' GLN . 9.7 p -99.2 130.2 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 37.1 t -65.35 148.44 51.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 t -111.7 19.68 17.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.554 ' CG2' ' CB ' ' A' ' 44' ' ' ALA . 74.9 t -114.48 -46.82 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -126.28 -65.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 171.64 -62.71 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CD1' HG22 ' A' ' 41' ' ' VAL . 3.1 t80 34.97 -150.79 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.027 -0.586 . . . . 0.0 109.817 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 169.19 89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -80.94 121.71 26.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' LYS . 1.4 m-20 -120.72 111.49 34.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.491 ' CD ' ' O ' ' A' ' 2' ' ' ASP . 86.2 Cg_exo -49.15 -21.41 4.22 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.264 3.309 . . . . 0.0 109.659 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.79 -30.78 61.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -93.71 -46.32 7.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.34 -140.52 19.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' N ' ' HD3' ' A' ' 20' ' ' PRO . 16.0 m-20 -156.9 73.97 4.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.11 0.957 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 19' ' ' ASP . 25.6 Cg_exo -63.88 -10.68 23.62 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.313 3.342 . . . . 0.0 109.584 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -114.42 37.38 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.21 29.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.33 45.79 92.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.7 mm -136.48 141.84 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.62 145.42 30.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -45.99 121.97 4.82 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.316 3.344 . . . . 0.0 109.581 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.04 65.68 1.22 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.5 m -130.83 121.29 25.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.351 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 151.84 38.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CD2' ' O ' ' A' ' 30' ' ' PHE . 65.6 t80 -76.21 0.62 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -102.52 -11.65 18.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -102.22 8.03 40.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 30' ' ' PHE . 68.8 mt -62.91 143.66 97.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 81.0 Cg_exo -33.83 -69.48 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.324 3.349 . . . . 0.0 109.591 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 5.4 m-20 153.65 -47.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -97.34 28.74 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.407 ' CZ3' ' CE2' ' A' ' 49' ' ' PHE . 88.3 t90 -73.62 151.77 40.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 107.937 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.42 167.65 25.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.8 t -71.0 115.18 33.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 108.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -55.83 -10.85 4.43 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.296 3.331 . . . . 0.0 109.62 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.553 HG22 ' CD1' ' A' ' 11' ' ' TYR . 39.5 t -87.56 -68.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 8.4 p -93.36 -47.07 7.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 97.08 49.9 1.83 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.554 ' CB ' ' CG2' ' A' ' 8' ' ' VAL . . . -89.77 152.02 21.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.73 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -52.44 139.35 25.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -44.66 -26.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 45' ' ' SER . 54.2 m-20 -57.2 -40.02 76.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' SER . . . -39.26 -84.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 96.0 m-85 -33.93 131.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -147.84 72.73 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.23 147.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HA ' ' CG1' ' A' ' 5' ' ' VAL . 2.0 pt20 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.527 0.203 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -171.89 69.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mt -106.64 147.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 30' ' ' PHE . 25.7 m-85 -117.95 142.36 47.43 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.787 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.25 127.25 75.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 20.7 t -69.33 146.82 51.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -109.59 14.05 23.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 110.4 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.505 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 84.3 t -107.61 -47.88 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -123.65 -65.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 108.288 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.8 61.41 0.1 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.604 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 7.6 t80 -114.95 91.44 3.62 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.825 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.09 117.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 43.9 t80 -83.43 67.32 9.28 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.835 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -56.32 111.21 2.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.41 -21.6 14.17 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.336 3.358 . . . . 0.0 109.606 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.53 -24.26 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -94.41 -17.68 22.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.28 -127.57 4.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.12 87.31 1.68 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 122.063 0.935 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.09 -6.29 16.5 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.344 3.363 . . . . 0.0 109.59 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.95 62.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.48 -36.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.057 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.85 43.51 0.17 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.5 mm -134.18 143.87 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -114.91 145.39 33.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.33 132.79 15.64 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.296 3.331 . . . . 0.0 109.587 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.2 48.96 3.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.4 m -125.52 119.09 27.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -61.9 149.87 39.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 22.8 t80 -73.23 -8.14 54.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -92.93 -12.08 31.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -101.76 9.53 40.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.444 HD13 ' CG ' ' A' ' 30' ' ' PHE . 71.5 mt -67.39 144.29 97.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 77.6 Cg_exo -38.19 -69.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.301 3.334 . . . . 0.0 109.628 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 153.75 -46.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -92.47 25.32 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.421 ' CZ3' ' CE1' ' A' ' 49' ' ' PHE . 90.1 t90 -68.65 160.73 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.75 161.13 41.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.7 t -65.4 114.5 15.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -54.74 -12.58 4.73 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.294 3.329 . . . . 0.0 109.565 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.512 HG22 ' CG ' ' A' ' 11' ' ' TYR . 44.2 t -85.6 -67.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.505 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 9.7 p -93.76 -47.69 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.347 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 98.35 47.42 2.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.469 ' CB ' ' CG2' ' A' ' 8' ' ' VAL . . . -86.66 163.68 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -57.52 139.77 52.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -51.01 -21.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -85.64 47.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.09 -44.65 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 61.6 m-85 -63.65 151.77 40.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -143.31 124.55 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.904 ' O ' ' OXT' ' A' ' 52' ' ' GLN . 4.2 ttpm? -43.62 101.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.904 ' OXT' ' O ' ' A' ' 51' ' ' LYS . 16.3 pt20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.53 0.205 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.79 110.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.72 149.56 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 31.6 m-85 -114.35 131.13 56.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.776 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.459 HG22 ' CB ' ' A' ' 52' ' ' GLN . 39.2 t -117.05 133.89 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.63 148.29 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 p -105.38 20.84 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.409 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 90.6 t -116.08 -46.99 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.32 -68.01 0.94 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 166.68 -54.03 0.24 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.695 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.2 t80 33.87 -148.08 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.014 -0.593 . . . . 0.0 109.799 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 159.61 84.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -70.18 118.69 13.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.787 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.45 102.67 53.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.33 -17.01 14.75 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.334 3.356 . . . . 0.0 109.582 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.7 -41.7 52.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.96 -45.66 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.2 -140.28 20.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.471 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -128.5 89.22 50.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.073 0.939 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -81.25 54.45 5.19 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.316 3.344 . . . . 0.0 109.589 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -132.2 35.81 3.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.62 70.45 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.032 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.71 -37.01 0.06 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.471 ' HB ' ' CB ' ' A' ' 19' ' ' ASP . 9.3 mm -134.17 145.08 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.96 152.27 38.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -58.66 123.9 14.58 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.368 3.379 . . . . 0.0 109.581 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.12 57.04 1.52 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -122.2 139.99 53.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.359 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 175.14 10.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -93.26 -10.54 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -10.98 26.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -98.47 -12.38 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 34' ' ' PRO . 56.4 mt -51.51 146.42 12.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' LEU . 95.5 Cg_exo -42.07 165.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.318 3.345 . . . . 0.0 109.571 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.05 22.56 9.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.7 20.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -86.89 145.86 26.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 108.026 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -153.74 152.41 30.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 43' ' ' GLY . 48.3 t -43.68 100.92 0.24 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 15.9 Cg_exo -67.4 -2.3 8.0 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.308 3.339 . . . . 0.0 109.62 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.695 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 34.9 t -88.92 -64.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 26.6 p -103.4 -38.51 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.603 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.46 -29.13 3.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.603 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -23.05 131.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.361 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.9 p -56.91 -171.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -92.15 29.67 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -115.73 -44.25 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -41.06 -64.46 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' ALA . 88.4 m-85 -36.24 149.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.9 pt-20 -148.89 123.19 9.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 2.8 mtpm? -40.25 99.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.502 ' OXT' ' OE1' ' A' ' 52' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.228 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.527 0.203 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.13 57.28 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.0 mt -112.37 148.75 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -114.18 141.67 47.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.85 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 1.13 HG22 ' OXT' ' A' ' 52' ' ' GLN . 61.6 t -129.06 138.83 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 45.0 t -72.04 150.87 43.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.9 p -105.94 18.47 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 44' ' ' ALA . 60.4 t -114.92 -47.48 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.15 -68.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 11' ' ' TYR . . . 168.42 -59.13 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.692 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.1 t80 37.02 -155.28 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.034 -0.583 . . . . 0.0 109.817 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 169.59 87.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -82.54 145.69 29.61 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.811 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' GLY . 4.1 m-20 -136.99 140.93 32.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -84.14 -17.71 5.51 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.273 3.315 . . . . 0.0 109.588 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.47 -40.76 49.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 -34.74 9.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 77.41 -136.53 18.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -130.89 88.74 44.98 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 122.066 0.936 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -89.13 43.23 0.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.281 3.321 . . . . 0.0 109.597 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -165.38 52.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 p -177.88 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.81 51.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.1 mm -133.89 144.54 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.0 156.35 38.02 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -64.39 137.08 53.89 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.296 3.331 . . . . 0.0 109.598 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.15 42.27 9.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.4 m -109.79 120.91 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.366 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -63.81 147.53 51.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -68.64 -17.82 64.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -7.83 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -100.51 -10.91 20.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' PRO . 51.7 mt -50.23 147.6 7.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 33' ' ' LEU . 91.6 Cg_exo -41.78 164.64 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.288 3.326 . . . . 0.0 109.603 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -98.63 21.87 10.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -145.7 18.35 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -84.8 149.46 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -157.1 149.72 23.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' O ' ' HA3' ' A' ' 43' ' ' GLY . 42.1 t -43.78 101.02 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 108.345 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 15.6 Cg_exo -67.68 -3.02 9.51 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.367 3.378 . . . . 0.0 109.59 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.692 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 47.2 t -88.57 -67.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.48 -42.73 7.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.71 -30.86 3.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.569 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -25.28 135.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.3 p -60.88 -172.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -91.85 31.02 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.74 34.86 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -128.87 -44.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 69.1 m-85 -52.78 151.66 4.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -160.62 140.26 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -40.23 102.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 1.13 ' OXT' HG22 ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.473 0.178 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.25 79.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mt -108.21 148.25 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -140.33 126.8 20.13 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.812 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 t -123.05 150.07 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.6 t -73.05 150.17 42.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.297 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 9.9 t -111.4 17.89 19.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.6 t -111.06 -46.21 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.47 -63.06 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.1 62.61 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.518 ' CG ' HG22 ' A' ' 41' ' ' VAL . 71.0 t80 -114.46 113.11 24.04 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.824 -0.608 . . . . 0.0 109.865 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -87.47 114.45 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CD2' ' HD1' ' A' ' 30' ' ' PHE . 67.6 t80 -84.5 140.46 31.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.827 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.17 142.2 37.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -85.67 -23.6 2.12 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.291 3.327 . . . . 0.0 109.556 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.38 -39.63 38.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 -42.88 9.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.8 -126.5 7.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.082 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -161.49 80.04 2.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 122.08 0.943 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -38.41 -48.73 2.46 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.34 3.36 . . . . 0.0 109.583 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 22' ' ' SER . 24.9 p30 -61.39 153.54 26.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 2.3 t 84.34 -56.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.73 64.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.1 mm -137.24 141.68 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 143.91 29.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.93 133.08 14.35 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.334 3.356 . . . . 0.0 109.608 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.47 50.98 3.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 m -127.56 120.62 28.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -57.15 159.74 4.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.408 ' HD1' ' CD2' ' A' ' 13' ' ' TYR . 78.8 t80 -82.95 -4.05 57.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -100.43 -23.05 14.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.79 -0.04 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.8 mt -59.43 145.49 81.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -43.47 167.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.305 3.337 . . . . 0.0 109.597 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -100.22 21.41 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -145.9 19.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -83.91 145.26 28.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 107.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.86 153.37 35.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.42 ' O ' ' HA3' ' A' ' 43' ' ' GLY . 45.9 t -43.18 100.99 0.23 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.405 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.2 Cg_exo -68.92 -2.37 9.44 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.28 3.32 . . . . 0.0 109.612 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.518 HG22 ' CG ' ' A' ' 11' ' ' TYR . 45.7 t -88.67 -68.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.7 p -99.27 -43.09 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.73 -31.95 2.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.569 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -26.77 136.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -89.03 22.96 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.72 -7.65 10.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.504 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . -80.18 -2.8 46.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -98.81 133.59 42.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.0 pt-20 -128.54 127.33 42.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -38.5 98.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.545 0.212 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' MET . 6.6 m-20 40.33 86.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mt -113.24 146.92 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 30' ' ' PHE . 61.4 m-85 -122.47 140.74 52.4 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.813 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.4 t -124.55 138.46 53.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 27.3 t -75.12 147.51 40.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 108.225 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -107.02 14.61 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.507 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 79.1 t -109.61 -46.51 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.65 -68.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.152 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.68 61.99 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.554 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 9.5 t80 -109.78 89.63 3.07 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.979 -0.611 . . . . 0.0 109.826 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -47.84 117.94 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -90.83 102.12 14.88 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.841 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.54 135.29 64.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -86.76 -26.08 1.03 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.317 3.345 . . . . 0.0 109.604 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.54 -22.9 53.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.39 -44.93 5.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.04 -131.85 11.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.95 87.33 3.04 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 122.089 0.947 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -82.58 63.95 8.11 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.28 3.32 . . . . 0.0 109.628 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -141.44 -51.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.0 t -87.12 -60.36 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.8 57.04 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.4 mm -137.94 141.04 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.36 147.37 37.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.48 134.49 16.33 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.374 3.383 . . . . 0.0 109.571 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.91 53.32 3.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -128.43 119.5 25.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 0.0 110.419 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -64.6 144.56 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 33.1 t80 -65.64 -10.59 37.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -89.49 8.33 31.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -125.68 12.61 7.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.486 HD13 ' CG ' ' A' ' 30' ' ' PHE . 47.1 mt -76.59 140.61 68.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' LEU . 73.7 Cg_exo -41.64 164.39 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.303 3.336 . . . . 0.0 109.581 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -93.21 23.32 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.15 22.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -78.17 156.7 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 108.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.36 163.68 39.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' ' 43' ' ' GLY . 53.9 t -65.08 114.23 14.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -54.97 -13.42 6.36 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.308 3.338 . . . . 0.0 109.559 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.47 HG22 ' CB ' ' A' ' 11' ' ' TYR . 43.8 t -83.95 -66.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.507 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 9.4 p -96.7 -48.92 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 100.19 49.08 1.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.498 ' CB ' ' CG2' ' A' ' 8' ' ' VAL . . . -86.67 165.28 16.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 47' ' ' ASP . 13.8 m -59.51 138.85 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.942 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -49.59 -22.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 45' ' ' SER . 5.0 t70 -84.57 48.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.34 -45.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 61.0 m-85 -63.03 151.69 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.92 ' OE1' ' OXT' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -158.56 140.19 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 4.5 mtmp? -39.94 104.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.92 ' OXT' ' OE1' ' A' ' 50' ' ' GLU . 1.2 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.5 0.19 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.58 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 2.8 m-20 -120.13 -41.26 2.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.9 mt -46.04 147.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 2' ' ' ASP . 62.1 m-85 -124.82 140.83 52.57 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.829 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 10' ' ' GLY . 99.0 t -124.46 140.06 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.56 147.18 44.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' ALA . 6.9 p -102.39 13.63 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.5 t -107.7 -46.94 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -119.01 -68.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 108.279 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 166.45 -53.71 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.63 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.4 t80 33.36 -147.18 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.977 -0.612 . . . . 0.0 109.815 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 160.04 79.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -66.46 122.48 17.64 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.828 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -111.25 103.08 54.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -49.37 -24.05 8.08 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.272 3.315 . . . . 0.0 109.618 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -31.37 59.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -94.91 -49.94 5.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.19 -120.81 5.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.459 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -162.07 82.41 1.76 Allowed Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.096 0.95 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 60.6 Cg_endo -76.13 -163.84 0.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.324 3.349 . . . . 0.0 109.595 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 4.2 m-20 79.17 21.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER 81.68 91.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.06 -57.22 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.459 ' HB ' ' CB ' ' A' ' 19' ' ' ASP . 11.5 mm -131.15 145.44 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.26 150.07 40.83 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.17 114.06 2.16 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.341 3.361 . . . . 0.0 109.595 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.53 60.78 0.98 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -120.62 138.46 53.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -73.4 149.32 42.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -74.52 -0.89 19.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.48 -21.4 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -90.0 -6.64 55.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.4 mt -45.94 148.84 1.31 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.561 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 59.2 Cg_exo -47.7 -18.73 1.07 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.328 3.352 . . . . 0.0 109.575 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 4.8 m-20 87.74 -45.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.27 -3.11 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -67.75 140.59 56.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.02 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -145.14 154.24 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.422 ' O ' ' HA3' ' A' ' 43' ' ' GLY . 44.2 t -45.62 102.09 0.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 13.9 Cg_exo -68.69 -3.18 10.71 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.302 3.335 . . . . 0.0 109.6 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.63 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 44.7 t -88.47 -68.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.21 -44.22 7.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.279 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.602 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.74 -32.58 2.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.602 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -23.25 131.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -53.53 -171.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -89.59 24.89 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -120.03 -6.0 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 7' ' ' THR . . . -91.12 22.07 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -121.04 150.82 40.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' LYS . 4.3 tt0 -155.37 133.77 11.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -39.96 102.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.497 0.189 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -175.7 65.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.78 145.93 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -131.95 125.78 32.46 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.811 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.7 p -120.39 147.87 23.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.9 t -76.21 148.93 37.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.282 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -104.43 14.57 29.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.466 HG22 ' CB ' ' A' ' 44' ' ' ALA . 42.6 t -108.5 -45.62 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -116.89 -66.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 108.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.18 62.47 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.474 ' CB ' HG22 ' A' ' 41' ' ' VAL . 45.2 t80 -109.18 95.11 5.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.015 -0.593 . . . . 0.0 109.825 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.0 101.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -65.09 121.68 15.28 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.835 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -106.94 106.54 58.48 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.23 -28.77 53.8 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.305 3.336 . . . . 0.0 109.573 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.34 58.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.85 -49.46 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.21 -123.96 6.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.23 78.7 3.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.084 0.945 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.41 68.34 6.1 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.329 3.352 . . . . 0.0 109.643 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 22' ' ' SER . 5.9 t70 177.98 57.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.5 OUTLIER 165.22 -58.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.51 48.36 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.0 mm -136.11 125.01 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.14 144.07 27.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.7 122.21 4.77 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.289 3.326 . . . . 0.0 109.581 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.02 59.78 1.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.7 m -126.92 121.38 31.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 149.8 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -75.65 -6.97 53.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -98.21 -21.95 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -86.87 1.23 53.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.1 mt -61.19 143.73 92.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -43.22 166.69 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.334 3.356 . . . . 0.0 109.61 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -98.46 21.06 11.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -145.99 19.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -84.14 142.98 29.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.027 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -148.9 153.36 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.424 ' O ' ' HA3' ' A' ' 43' ' ' GLY . 44.9 t -43.07 100.73 0.23 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 108.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.7 Cg_exo -68.77 -3.44 11.31 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.303 3.335 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.474 HG22 ' CB ' ' A' ' 11' ' ' TYR . 47.9 t -87.02 -66.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.22 -42.68 6.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.26 -32.17 2.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.563 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.26 136.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.97 -168.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -89.77 24.74 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.31 -6.46 10.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.76 12.76 12.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -112.69 151.79 29.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 52' ' ' GLN . 7.1 pt-20 -146.0 123.49 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.04 100.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.503 0.192 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 57.06 95.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.8 mt -84.81 149.5 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -136.24 127.81 28.76 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.846 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.937 ' CG1' ' OXT' ' A' ' 52' ' ' GLN . 5.1 p -124.85 150.96 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.0 t -75.75 146.83 39.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.246 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 p -101.84 12.09 37.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.354 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.443 HG22 ' CB ' ' A' ' 44' ' ' ALA . 30.7 t -105.42 -45.91 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -116.79 -66.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.12 62.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.474 ' CB ' HG22 ' A' ' 41' ' ' VAL . 43.7 t80 -111.12 97.49 6.84 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.001 -0.599 . . . . 0.0 109.865 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -68.55 109.12 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -83.2 137.26 34.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.849 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.89 140.79 31.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.3 -30.36 0.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.314 3.343 . . . . 0.0 109.616 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.02 -25.54 59.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 -36.06 7.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.31 -138.51 41.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 24' ' ' ILE . 36.2 m-20 -142.15 138.21 16.52 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.051 0.929 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -87.41 -45.19 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.325 3.35 . . . . 0.0 109.613 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' SER . 3.2 m-20 -101.9 99.0 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.5 OUTLIER 159.82 -27.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.953 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.12 51.39 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 8.6 mm -134.84 140.86 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.14 143.15 26.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.92 130.79 13.3 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 0.0 109.561 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.3 52.23 2.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.5 m -127.4 122.04 32.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 161.94 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.492 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 67.5 t80 -81.74 7.37 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.01 -17.58 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -94.12 3.04 55.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.5 mt -64.15 144.05 98.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.29 165.71 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.356 3.37 . . . . 0.0 109.581 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -97.65 20.24 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.82 17.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -83.79 142.09 30.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -146.86 154.27 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.433 ' O ' ' HA3' ' A' ' 43' ' ' GLY . 49.6 t -44.27 101.55 0.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 14.2 Cg_exo -68.31 -3.06 10.15 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.271 3.314 . . . . 0.0 109.6 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.474 HG22 ' CB ' ' A' ' 11' ' ' TYR . 36.7 t -87.66 -66.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.9 p -101.32 -41.9 6.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.575 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 133.91 -30.31 2.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.575 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -26.21 135.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -53.86 -170.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -90.39 25.07 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -4.61 9.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . . . -89.11 14.67 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -113.91 151.38 32.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -161.04 144.19 12.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.91 103.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.937 ' OXT' ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.484 ' H3 ' ' HB3' ' A' ' 51' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.525 0.202 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.508 ' O ' ' CG ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -120.42 -49.69 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.59 147.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 35.4 m-85 -123.47 135.89 54.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.814 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 t -111.8 137.98 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 18.5 t -76.0 144.21 41.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 108.264 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -101.56 6.77 42.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' CG2' ' CB ' ' A' ' 44' ' ' ALA . 95.4 t -99.32 -45.68 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -126.38 -68.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.259 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 170.32 -56.22 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.093 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.8 t80 33.74 -146.81 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.97 -0.615 . . . . 0.0 109.834 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER 164.17 84.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -74.31 119.26 18.28 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.854 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -110.86 105.17 57.01 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.508 ' CG ' ' O ' ' A' ' 2' ' ' ASP . 82.7 Cg_exo -51.02 -20.01 6.61 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 124.329 3.352 . . . . 0.0 109.628 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -21.75 57.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.5 -43.95 5.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.68 -142.15 15.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD2' ' NE1' ' A' ' 37' ' ' TRP . 0.4 OUTLIER -145.89 87.52 6.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.099 0.952 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.19 155.95 67.54 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.331 3.354 . . . . 0.0 109.558 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.0 t70 45.97 75.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.3 -35.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.39 37.77 0.67 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.409 ' HB ' ' CB ' ' A' ' 19' ' ' ASP . 4.7 mm -135.36 139.01 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -96.86 176.34 2.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 25' ' ' LYS . 8.5 Cg_exo -74.07 138.74 25.94 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.248 3.299 . . . . 0.0 109.609 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.75 46.88 36.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.4 m -104.68 120.2 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.401 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -67.1 150.29 49.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 58.4 t80 -72.42 -3.15 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.86 -18.99 20.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.27 7.99 43.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 60.1 mt -66.08 145.26 99.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 19.2 Cg_endo -59.18 -12.78 17.08 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.29 3.327 . . . . 0.0 109.588 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 16.3 t0 85.0 -50.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.19 -12.44 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.446 ' NE1' ' OD2' ' A' ' 19' ' ' ASP . 92.6 t90 -56.07 153.98 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.014 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -153.18 156.7 39.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' GLY . 42.3 t -57.66 111.07 2.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.288 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 36.5 Cg_exo -55.93 -11.62 5.77 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.331 3.354 . . . . 0.0 109.604 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.482 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 48.4 t -84.01 -70.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.4 p -94.51 -45.7 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 98.17 48.57 1.86 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.539 ' CB ' ' CG2' ' A' ' 8' ' ' VAL . . . -86.05 156.97 20.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.79 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 47' ' ' ASP . 22.0 p -53.23 135.48 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' CE ' ' HA ' ' A' ' 35' ' ' ASP . 14.2 ttpp -50.35 -21.82 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 45' ' ' SER . 1.1 t70 -86.5 44.82 1.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.37 -44.2 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.373 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 55.5 m-85 -59.14 150.15 26.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -145.02 123.6 12.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.602 ' O ' ' OXT' ' A' ' 52' ' ' GLN . 29.4 mtpt -39.75 106.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.749 ' HG3' ' OXT' ' A' ' 52' ' ' GLN . 24.4 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.537 0.208 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -82.92 56.57 3.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.08 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.47 HG23 ' OXT' ' A' ' 52' ' ' GLN . 19.7 mt -115.44 151.24 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -131.64 134.74 46.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.833 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.6 t -130.54 148.9 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.4 t -75.63 148.32 38.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.324 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -104.89 14.66 29.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.5 t -108.27 -45.91 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -117.73 -66.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.93 61.98 0.05 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.497 ' HB2' ' CG2' ' A' ' 41' ' ' VAL . 59.2 t80 -107.51 105.06 14.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.011 -0.595 . . . . 0.0 109.871 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -80.99 105.46 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CD2' ' HD1' ' A' ' 30' ' ' PHE . 67.3 t80 -77.88 135.02 37.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.803 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.66 141.7 31.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -86.43 -24.79 1.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.325 3.35 . . . . 0.0 109.562 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.43 62.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -99.89 -46.0 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.05 -124.17 6.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.55 75.13 1.82 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.114 0.959 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 27.5 Cg_exo -63.28 178.69 1.08 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.369 3.38 . . . . 0.0 109.599 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER 74.96 -69.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 m -52.09 -72.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.58 47.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.1 mm -135.88 139.24 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 145.12 30.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.4 125.43 9.05 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 124.293 3.329 . . . . 0.0 109.606 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.01 59.74 1.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -129.14 122.0 28.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.14 156.17 15.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.408 ' HD1' ' CD2' ' A' ' 13' ' ' TYR . 76.4 t80 -78.29 -7.23 56.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.04 -21.03 17.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.35 2.18 53.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.47 145.13 91.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.46 165.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.31 3.34 . . . . 0.0 109.607 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.26 22.58 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -148.81 20.43 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -85.54 143.81 28.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.965 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.06 153.52 36.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.427 ' O ' ' HA3' ' A' ' 43' ' ' GLY . 49.4 t -42.99 100.78 0.23 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.1 Cg_exo -68.36 -2.93 9.95 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.325 3.35 . . . . 0.0 109.619 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.497 ' CG2' ' HB2' ' A' ' 11' ' ' TYR . 41.0 t -87.61 -66.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.8 p -101.23 -42.17 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.282 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.37 -31.4 2.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.576 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -26.13 135.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -54.13 -170.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -90.16 25.09 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -119.56 -5.47 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.34 17.13 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -114.89 152.06 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -161.85 145.77 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -40.22 102.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' OXT' HG23 ' A' ' 3' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.541 0.21 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -74.26 60.64 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 mt -110.65 150.4 13.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -136.94 122.63 19.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.824 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.53 145.36 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.8 t -75.23 147.71 40.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 p -102.75 14.55 31.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.0 t -108.5 -44.79 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -118.03 -66.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 108.251 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.12 62.95 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.545 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 18.2 t80 -112.49 88.83 2.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.003 -0.598 . . . . 0.0 109.827 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -56.4 104.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CD2' ' HD1' ' A' ' 30' ' ' PHE . 60.1 t80 -71.79 140.97 49.68 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.863 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.91 141.62 41.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -87.21 -24.48 1.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.308 3.339 . . . . 0.0 109.632 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.25 -28.12 59.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -103.1 -40.72 6.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.88 -130.75 10.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -157.88 83.44 2.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.118 0.961 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.88 51.37 3.59 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.311 3.34 . . . . 0.0 109.616 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -131.82 -53.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 m -82.89 -52.18 6.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.99 42.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.3 mm -127.06 134.6 65.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -102.55 176.11 1.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 25' ' ' LYS . 13.8 Cg_exo -71.03 133.55 23.46 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.301 3.334 . . . . 0.0 109.56 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.51 49.43 3.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.1 m -125.74 122.99 37.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.76 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -68.54 148.07 51.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.408 ' HD1' ' CD2' ' A' ' 13' ' ' TYR . 66.3 t80 -69.67 -5.64 26.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.59 -17.55 17.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -89.44 -1.02 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.2 mt -58.76 144.48 80.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.7 163.13 22.49 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.3 3.333 . . . . 0.0 109.59 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 87.9 m-20 -90.94 88.58 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 3.8 m-20 156.5 -25.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -48.12 134.19 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 107.968 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -138.47 155.5 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 45.9 t -44.64 101.59 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 12.0 Cg_exo -69.69 -2.41 10.07 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.36 3.373 . . . . 0.0 109.608 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.457 HG22 ' CB ' ' A' ' 11' ' ' TYR . 44.3 t -87.88 -62.19 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.2 p -106.15 -40.66 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.3 -30.2 2.94 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.566 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.22 137.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.743 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -62.77 -171.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -90.87 35.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -117.01 -38.58 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -51.94 -62.28 1.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' ALA . 96.0 m-85 -35.73 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 52' ' ' GLN . 10.2 pt-20 -149.12 122.15 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -40.33 98.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' GLU . 6.0 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.552 0.215 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.47 83.45 0.76 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 mt -107.71 150.26 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -120.75 130.04 53.87 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.781 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.9 t -114.88 134.4 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.3 t -69.85 149.0 48.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.5 p -104.33 21.33 16.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.364 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.439 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 89.6 t -117.86 -47.05 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.27 -68.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 108.266 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 168.0 -54.2 0.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.69 ' CD1' ' CG2' ' A' ' 41' ' ' VAL . 2.1 t80 34.63 -150.3 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.0 -0.6 . . . . 0.0 109.84 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 162.56 78.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -69.01 143.84 54.25 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.838 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -135.75 138.17 27.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.23 -38.26 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.334 3.356 . . . . 0.0 109.552 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.1 -26.97 63.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.87 -49.3 4.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 72.96 -153.48 48.61 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -133.51 77.4 65.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.086 0.946 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -70.78 54.96 1.64 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.299 3.333 . . . . 0.0 109.615 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -124.21 53.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 m 50.0 60.0 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.94 -38.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.5 mm -131.98 139.69 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.12 150.74 38.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -58.17 119.54 6.86 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.331 3.354 . . . . 0.0 109.572 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.43 59.61 1.08 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.5 m -125.75 132.49 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -71.71 157.75 37.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -78.69 3.5 16.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -109.01 -29.97 8.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -78.74 -3.7 45.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' HB2' ' CE ' ' A' ' 46' ' ' LYS . 58.0 mt -47.83 146.75 3.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.552 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 20.3 Cg_exo -32.6 -70.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.324 3.349 . . . . 0.0 109.591 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 3.7 m-20 151.97 -49.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.11 23.74 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -79.19 139.05 38.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 108.01 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' O ' ' HD3' ' A' ' 40' ' ' PRO . . . -145.14 155.17 43.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 49.9 t -44.89 101.67 0.27 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.28 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 15.0 Cg_exo -67.92 -2.3 8.45 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.324 3.349 . . . . 0.0 109.623 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.69 ' CG2' ' CD1' ' A' ' 11' ' ' TYR . 31.0 t -88.55 -65.12 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 26.3 p -104.08 -37.21 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.41 -28.48 3.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.626 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -20.58 127.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -55.1 -172.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' CE ' ' HB2' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -92.4 34.23 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.52 -42.95 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -41.91 -65.24 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' ALA . 87.6 m-85 -35.24 149.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' GLN . 9.1 pt-20 -148.22 122.6 9.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.44 98.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.662 ' OXT' ' CG ' ' A' ' 52' ' ' GLN . 1.2 pp0? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 122.139 0.971 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -137.19 126.35 24.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.836 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.576 HG23 ' N ' ' A' ' 12' ' ' GLU . 5.8 p -123.45 148.26 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -79.5 139.81 37.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.274 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.503 HG21 ' OE2' ' A' ' 50' ' ' GLU . 3.1 p -94.04 -3.11 51.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.735 HG21 ' HB2' ' A' ' 44' ' ' ALA . 20.0 t -85.81 -45.44 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -117.27 -63.6 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.94 61.26 0.2 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.952 ' CB ' HG21 ' A' ' 41' ' ' VAL . 4.8 t80 -118.26 95.7 5.0 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.02 -0.59 . . . . 0.0 109.843 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.576 ' N ' HG23 ' A' ' 5' ' ' VAL . 9.1 pt-20 -55.55 117.84 3.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.822 ' OH ' HD21 ' A' ' 33' ' ' LEU . 25.0 t80 -57.92 -45.87 85.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.855 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 17' ' ' LYS . 63.8 m-20 50.22 99.85 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.4 -33.14 36.52 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.289 3.326 . . . . 0.0 109.649 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.03 -21.01 57.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HB2' ' CB ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -87.99 -32.11 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.62 -135.49 4.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 122.081 0.943 . . . . 0.0 109.333 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.489 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 23' ' ' GLY . 11.7 mm -130.25 140.26 49.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.22 150.33 40.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.68 105.2 0.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.296 3.331 . . . . 0.0 109.59 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.24 65.13 0.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.443 1.089 . . . . 0.0 111.002 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.5 m -121.55 137.17 54.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.14 139.5 56.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -71.26 -4.62 26.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.12 -23.1 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -86.76 -2.61 58.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.822 HD21 ' OH ' ' A' ' 13' ' ' TYR . 72.5 mt -58.45 146.96 70.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' LEU . 87.2 Cg_exo -42.31 165.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.323 3.349 . . . . 0.0 109.621 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -98.48 20.49 12.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -144.87 18.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.373 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -82.97 145.81 29.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 107.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 40' ' ' PRO . . . -152.82 153.41 33.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.407 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 47.4 t -42.2 100.31 0.22 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ALA . 15.0 Cg_exo -67.94 -4.87 13.24 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.3 3.333 . . . . 0.0 109.595 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.952 HG21 ' CB ' ' A' ' 11' ' ' TYR . 61.6 t -85.54 -66.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -100.19 -45.5 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.584 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 137.66 -32.58 2.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.735 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -24.68 133.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -90.53 38.65 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.34 9.57 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.64 -23.14 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -70.5 151.38 45.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.503 ' OE2' HG21 ' A' ' 7' ' ' THR . 5.7 pt-20 -143.89 124.15 13.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -42.62 100.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 122.104 0.954 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 51' ' ' LYS . 64.2 m-85 -132.87 122.91 25.08 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.754 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 9.7 p -117.86 147.54 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.1 t -75.14 148.07 39.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.402 HG21 ' OE2' ' A' ' 50' ' ' GLU . 6.1 p -103.52 16.75 25.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.608 HG21 ' HB2' ' A' ' 44' ' ' ALA . 48.2 t -111.47 -45.14 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.2 -68.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.8 62.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.916 ' HB2' HG21 ' A' ' 41' ' ' VAL . 43.3 t80 -102.55 98.89 8.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.961 -0.62 . . . . 0.0 109.807 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 95.07 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.706 ' OH ' HD21 ' A' ' 33' ' ' LEU . 67.5 t80 -73.26 141.69 47.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -128.54 141.74 42.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.45 -36.9 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.335 3.356 . . . . 0.0 109.575 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.41 -23.71 58.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.14 -50.96 4.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.22 -146.89 28.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 122.063 0.935 . . . . 0.0 109.319 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.564 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.564 HD13 ' O ' ' A' ' 23' ' ' GLY . 24.5 mm -128.89 138.05 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -95.03 155.5 38.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -63.41 134.8 46.61 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.301 3.334 . . . . 0.0 109.571 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.07 44.29 6.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.9 m -113.53 121.84 45.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.416 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -56.94 150.76 16.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -76.42 -3.35 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -101.47 -21.49 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.5 0.44 55.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.706 HD21 ' OH ' ' A' ' 13' ' ' TYR . 46.0 mt -58.59 145.35 77.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.3 165.27 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.314 3.343 . . . . 0.0 109.583 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -98.35 22.51 9.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.8 20.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -85.59 144.98 27.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 108.022 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -151.61 153.11 33.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.441 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 48.8 t -42.98 100.68 0.23 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.3 Cg_exo -69.05 -2.36 9.52 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.31 3.34 . . . . 0.0 109.569 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.916 HG21 ' HB2' ' A' ' 11' ' ' TYR . 44.7 t -87.74 -62.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -106.77 -39.17 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 108.251 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 133.42 -29.83 3.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.608 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.11 135.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -60.28 -171.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -91.08 36.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -117.6 -49.87 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -40.26 -60.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ALA . 85.3 m-85 -36.07 149.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.4 pt-20 -149.58 122.01 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -44.63 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 122.068 0.937 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' A' ' 30' ' ' PHE . 37.7 m-85 -119.67 128.86 54.22 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.87 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 10' ' ' GLY . 39.0 t -118.87 135.73 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.3 t -71.01 148.84 47.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 108.333 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.412 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 12.4 p -105.02 20.49 18.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.771 HG21 ' HB2' ' A' ' 44' ' ' ALA . 79.0 t -116.01 -46.56 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.17 -67.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 108.326 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.595 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 166.92 -56.33 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.9 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.0 t80 35.29 -151.26 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.972 -0.614 . . . . 0.0 109.851 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 1.5 pt-20 163.58 82.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.724 ' OH ' HD21 ' A' ' 33' ' ' LEU . 75.9 t80 -77.71 145.18 36.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.804 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' GLY . 7.0 m-20 -140.99 139.61 19.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -80.94 -17.33 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.351 3.367 . . . . 0.0 109.563 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.32 -41.53 56.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.74 -36.48 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.88 -139.71 23.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 122.057 0.932 . . . . 0.0 109.295 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.469 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.469 HD13 ' O ' ' A' ' 23' ' ' GLY . 18.9 mm -125.76 145.15 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 153.02 40.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.22 132.68 39.94 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.338 3.359 . . . . 0.0 109.564 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.62 48.6 4.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.4 m -116.88 122.9 45.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 161.72 12.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.454 ' CD2' ' CE2' ' A' ' 4' ' ' TYR . 76.4 t80 -84.81 4.07 34.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -6.4 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -104.45 -8.71 18.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.724 HD21 ' OH ' ' A' ' 13' ' ' TYR . 62.7 mt -49.85 146.72 7.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 33' ' ' LEU . 78.9 Cg_exo -41.11 163.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.311 3.34 . . . . 0.0 109.608 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.04 23.91 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -151.7 22.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -87.29 145.21 26.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -153.28 152.45 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' GLY . 48.8 t -43.32 100.81 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 15.9 Cg_exo -67.44 -2.02 7.55 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.343 3.362 . . . . 0.0 109.559 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.9 HG21 ' CD1' ' A' ' 11' ' ' TYR . 32.9 t -89.16 -64.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.301 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.8 p -103.22 -38.12 7.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.47 -29.42 3.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.771 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -23.55 131.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 30' ' ' PHE . 15.1 ttpp -92.28 30.92 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.01 -43.9 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.412 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -43.86 -62.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' ALA . 84.3 m-85 -36.53 149.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.3 pt-20 -149.09 122.31 8.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLU . 18.4 ttpt -40.2 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.419 ' CG1' ' OD1' ' A' ' 14' ' ' ASP . 3.1 mp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 122.103 0.954 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -118.5 124.28 47.18 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.814 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 10' ' ' GLY . 13.1 t -110.69 136.44 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 43.7 t -71.13 149.23 46.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 108.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.47 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 16.7 p -104.7 21.35 17.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.392 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.874 HG21 ' HB2' ' A' ' 44' ' ' ALA . 87.8 t -117.83 -47.18 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -120.32 -68.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.486 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 168.26 -54.68 0.22 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.9 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 34.68 -150.18 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.964 -0.618 . . . . 0.0 109.841 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 163.08 80.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.341 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.612 ' OH ' HD21 ' A' ' 33' ' ' LEU . 75.6 t80 -72.16 144.96 48.39 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.832 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' OD1' ' CG1' ' A' ' 3' ' ' ILE . 2.3 m-20 -137.23 137.24 22.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -82.72 -39.36 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.303 3.335 . . . . 0.0 109.606 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.05 -26.49 63.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -97.15 -52.16 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.39 -155.01 39.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 122.086 0.946 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.542 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.542 HD13 ' O ' ' A' ' 23' ' ' GLY . 25.1 mm -126.59 145.4 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.54 150.18 37.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.43 123.49 13.49 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.6 57.13 1.56 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 m -123.88 132.19 53.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -72.34 153.16 41.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -75.27 -0.28 19.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.45 -19.41 13.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -90.53 -1.03 57.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.612 HD21 ' OH ' ' A' ' 13' ' ' TYR . 50.0 mt -49.82 146.48 7.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 30.7 Cg_exo -31.87 -70.82 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.35 3.367 . . . . 0.0 109.572 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 2.6 m-20 151.8 -49.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.44 21.43 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.47 ' HB3' ' CE ' ' A' ' 46' ' ' LYS . 75.2 t90 -78.86 138.79 38.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -145.32 154.31 42.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' GLY . 49.5 t -44.43 101.34 0.25 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 108.266 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.9 Cg_exo -68.06 -2.72 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.358 3.372 . . . . 0.0 109.581 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.9 HG21 ' CD1' ' A' ' 11' ' ' TYR . 35.0 t -87.95 -62.93 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' HG11 ' A' ' 8' ' ' VAL . 27.3 p -105.18 -40.02 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.619 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 132.66 -30.52 3.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.874 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -21.64 128.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.78 -171.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' CE ' ' HB3' ' A' ' 37' ' ' TRP . 11.6 ttmt -92.83 30.34 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -116.66 -39.05 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.47 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -45.18 -65.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ALA . 91.6 m-85 -35.78 149.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.6 pt-20 -148.3 122.39 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -40.51 98.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 6.0 mt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 122.099 0.952 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 34.4 m-85 -132.5 139.75 48.06 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.833 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.0 p -128.52 141.49 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.08 148.33 39.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.275 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' ALA . 7.3 p -103.56 15.23 29.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 44' ' ' ALA . 40.2 t -109.54 -45.18 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.93 -68.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.281 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.2 62.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.889 ' HB2' HG21 ' A' ' 41' ' ' VAL . 45.8 t80 -101.01 100.77 11.42 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.026 -0.587 . . . . 0.0 109.878 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.31 89.17 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.794 ' OH ' HD21 ' A' ' 33' ' ' LEU . 72.8 t80 -69.29 144.19 53.64 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.832 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.28 140.5 38.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -83.46 -23.56 3.35 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.271 3.314 . . . . 0.0 109.56 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.18 -31.99 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 -40.86 7.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.2 -127.47 8.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 122.061 0.934 . . . . 0.0 109.294 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.814 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.814 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.5 mm -137.04 131.72 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -106.76 146.75 33.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.93 135.96 13.8 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.357 3.371 . . . . 0.0 109.573 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.37 48.49 4.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.6 m -124.85 121.47 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.04 148.91 42.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -72.71 -2.77 21.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.14 -22.74 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.14 0.54 53.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.794 HD21 ' OH ' ' A' ' 13' ' ' TYR . 46.8 mt -59.87 144.55 85.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.162 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -43.36 167.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.355 3.37 . . . . 0.0 109.571 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -98.84 21.25 11.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -145.87 18.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -85.43 142.36 29.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -149.1 154.05 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' GLY . 50.1 t -42.67 100.52 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.5 Cg_exo -68.7 -2.77 9.96 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.34 3.36 . . . . 0.0 109.612 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.889 HG21 ' HB2' ' A' ' 11' ' ' TYR . 43.6 t -87.13 -61.31 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.9 p -106.58 -40.91 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.574 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 132.43 -30.51 3.14 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.79 136.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.43 -170.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -90.96 25.98 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -119.87 -5.42 10.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.467 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -90.73 17.39 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 53.9 m-85 -115.08 150.67 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -148.97 122.74 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -40.38 105.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 122.073 0.939 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -109.16 135.26 50.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.867 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 40.0 t -116.36 132.31 66.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.459 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 48.6 t -68.64 150.55 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.596 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 7.8 p -106.0 20.33 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.097 HG21 ' HB2' ' A' ' 44' ' ' ALA . 83.3 t -117.54 -48.53 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.15 -69.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 168.81 -55.42 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.928 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 35.33 -151.3 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.009 -0.596 . . . . 0.0 109.811 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 163.39 79.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.41 ' OH ' HD21 ' A' ' 33' ' ' LEU . 64.1 t80 -64.33 119.07 9.64 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.863 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -111.73 102.24 53.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.29 -18.01 17.35 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.322 3.348 . . . . 0.0 109.62 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.95 -32.81 65.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -41.87 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.57 -120.98 6.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 122.048 0.928 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.637 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.637 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.4 mm -134.02 145.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -96.62 150.6 37.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -59.09 115.5 2.6 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.316 3.344 . . . . 0.0 109.584 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.9 61.16 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.2 m -123.26 133.31 54.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.34 164.6 26.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -84.43 1.15 46.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -108.57 -7.23 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.52 1.91 27.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' HB2' ' NZ ' ' A' ' 46' ' ' LYS . 51.7 mt -54.72 146.55 35.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 13.1 Cg_exo -33.49 -70.13 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.333 3.355 . . . . 0.0 109.547 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 150.7 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.92 22.28 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -78.3 143.72 36.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.41 152.09 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -44.3 101.38 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.7 Cg_exo -68.23 -3.91 11.71 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.337 3.358 . . . . 0.0 109.559 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.928 HG21 ' CD1' ' A' ' 11' ' ' TYR . 47.8 t -87.35 -67.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.507 ' SG ' HG11 ' A' ' 8' ' ' VAL . 29.2 p -96.82 -45.82 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.614 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.57 -33.15 2.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.097 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -21.12 128.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -52.51 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 33' ' ' LEU . 11.1 ttpt -92.34 30.55 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -130.95 33.87 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.596 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -124.09 -42.19 2.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 71.9 m-85 -55.17 150.44 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -145.73 123.6 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -47.03 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.486 ' HA ' HD13 ' A' ' 3' ' ' ILE . 2.7 mm . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 122.107 0.956 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 13' ' ' TYR . 55.2 m-85 -130.78 139.04 50.19 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.842 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 p -132.59 147.09 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.3 t -77.82 148.56 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -103.27 13.33 34.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.707 HG21 ' HB2' ' A' ' 44' ' ' ALA . 51.3 t -107.66 -45.96 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -117.83 -67.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.25 62.9 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.138 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.883 ' CB ' HG21 ' A' ' 41' ' ' VAL . 13.8 t80 -111.67 89.6 3.1 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.875 -0.584 . . . . 0.0 109.81 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 109.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.744 ' OH ' HD21 ' A' ' 33' ' ' LEU . 37.1 t80 -84.83 115.88 22.98 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.82 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -94.66 139.82 22.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -86.97 -29.36 0.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.313 3.342 . . . . 0.0 109.608 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.88 -22.74 58.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.35 -49.96 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.67 -130.88 11.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 CA-C-O 122.012 0.911 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.0 mm -121.53 143.95 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -90.43 157.67 44.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.62 135.72 36.88 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.294 3.329 . . . . 0.0 109.619 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.26 40.18 9.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 m -109.94 121.97 46.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -60.24 154.87 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 30' ' ' PHE . 73.2 t80 -80.17 4.01 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -106.81 -16.69 14.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -95.67 3.77 53.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.744 HD21 ' OH ' ' A' ' 13' ' ' TYR . 47.9 mt -62.62 145.16 95.53 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -43.6 165.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.252 3.301 . . . . 0.0 109.598 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -98.03 20.83 11.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -144.25 17.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -84.13 145.63 28.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -151.5 150.82 30.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLY . 45.2 t -43.62 100.86 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.421 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.0 Cg_exo -68.53 -4.09 12.36 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.332 3.355 . . . . 0.0 109.619 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.883 HG21 ' CB ' ' A' ' 11' ' ' TYR . 52.3 t -86.25 -61.59 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.36 -43.07 5.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 108.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.12 -31.79 2.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.707 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -25.56 134.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.3 p -60.4 -173.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -90.54 38.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.24 19.5 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.97 -29.98 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -66.37 151.55 46.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -145.72 123.76 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 108.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.405 HG23 ' OD1' ' A' ' 14' ' ' ASP . 2.5 mp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 122.127 0.965 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -116.36 124.0 49.0 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.818 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 51' ' ' LYS . 9.7 p -99.2 130.2 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 37.1 t -65.35 148.44 51.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.432 HG22 ' HB1' ' A' ' 48' ' ' ALA . 8.0 t -111.7 19.68 17.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.054 HG21 ' CB ' ' A' ' 44' ' ' ALA . 74.9 t -114.48 -46.82 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -126.28 -65.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 171.64 -62.71 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CD1' HG21 ' A' ' 41' ' ' VAL . 3.1 t80 34.97 -150.79 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.027 -0.586 . . . . 0.0 109.817 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 169.19 89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -80.94 121.71 26.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' LYS . 1.4 m-20 -120.72 111.49 34.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.15 -21.41 4.22 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.264 3.309 . . . . 0.0 109.659 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.79 -30.78 61.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -93.71 -46.32 7.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.34 -140.52 19.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 122.11 0.957 . . . . 0.0 109.321 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 23' ' ' GLY . 9.7 mm -136.48 141.84 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -103.62 145.42 30.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 74.6 Cg_exo -45.99 121.97 4.82 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.316 3.344 . . . . 0.0 109.581 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.04 65.68 1.22 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.5 m -130.83 121.29 25.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.351 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 151.84 38.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CD2' ' O ' ' A' ' 30' ' ' PHE . 65.6 t80 -76.21 0.62 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -102.52 -11.65 18.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -102.22 8.03 40.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' PRO . 68.8 mt -62.91 143.66 97.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 81.0 Cg_exo -33.83 -69.48 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.324 3.349 . . . . 0.0 109.591 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 5.4 m-20 153.65 -47.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -97.34 28.74 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.407 ' CZ3' ' CE2' ' A' ' 49' ' ' PHE . 88.3 t90 -73.62 151.77 40.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 107.937 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.42 167.65 25.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.8 t -71.0 115.18 33.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 108.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -55.83 -10.85 4.43 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.296 3.331 . . . . 0.0 109.62 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.517 HG21 ' CD1' ' A' ' 11' ' ' TYR . 39.5 t -87.56 -68.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 8.4 p -93.36 -47.07 7.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 97.08 49.9 1.83 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.054 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -89.77 152.02 21.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.73 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -52.44 139.35 25.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -44.66 -26.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 45' ' ' SER . 54.2 m-20 -57.2 -40.02 76.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' SER . . . -39.26 -84.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 96.0 m-85 -33.93 131.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -147.84 72.73 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.597 ' O ' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER 61.23 147.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.551 ' HA ' HG12 ' A' ' 5' ' ' VAL . 2.0 pt20 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 122.122 0.963 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 30' ' ' PHE . 25.7 m-85 -117.95 142.36 47.43 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.787 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.25 127.25 75.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 20.7 t -69.33 146.82 51.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -109.59 14.05 23.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 110.4 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.98 HG21 ' CB ' ' A' ' 44' ' ' ALA . 84.3 t -107.61 -47.88 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -123.65 -65.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 108.288 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.8 61.41 0.1 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.816 ' HB2' HG21 ' A' ' 41' ' ' VAL . 7.6 t80 -114.95 91.44 3.62 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.825 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.09 117.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 43.9 t80 -83.43 67.32 9.28 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.835 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -56.32 111.21 2.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.41 -21.6 14.17 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.336 3.358 . . . . 0.0 109.606 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.53 -24.26 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -94.41 -17.68 22.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.28 -127.57 4.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 122.063 0.935 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.523 HD13 ' O ' ' A' ' 23' ' ' GLY . 6.5 mm -134.18 143.87 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -114.91 145.39 33.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.33 132.79 15.64 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.296 3.331 . . . . 0.0 109.587 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.2 48.96 3.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.4 m -125.52 119.09 27.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -61.9 149.87 39.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.572 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 22.8 t80 -73.23 -8.14 54.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -92.93 -12.08 31.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -101.76 9.53 40.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.547 HD21 ' OH ' ' A' ' 13' ' ' TYR . 71.5 mt -67.39 144.29 97.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 77.6 Cg_exo -38.19 -69.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.301 3.334 . . . . 0.0 109.628 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 153.75 -46.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -92.47 25.32 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.421 ' CZ3' ' CE1' ' A' ' 49' ' ' PHE . 90.1 t90 -68.65 160.73 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.75 161.13 41.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.7 t -65.4 114.5 15.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -54.74 -12.58 4.73 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.294 3.329 . . . . 0.0 109.565 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.816 HG21 ' HB2' ' A' ' 11' ' ' TYR . 44.2 t -85.6 -67.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.505 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 9.7 p -93.76 -47.69 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.347 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 98.35 47.42 2.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.98 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -86.66 163.68 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -57.52 139.77 52.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -51.01 -21.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -85.64 47.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.09 -44.65 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 61.6 m-85 -63.65 151.77 40.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -143.31 124.55 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.904 ' O ' ' OXT' ' A' ' 52' ' ' GLN . 4.2 ttpm? -43.62 101.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.904 ' OXT' ' O ' ' A' ' 51' ' ' LYS . 16.3 pt20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 122.081 0.943 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 31.6 m-85 -114.35 131.13 56.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.776 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' GLY . 39.2 t -117.05 133.89 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.63 148.29 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 p -105.38 20.84 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.804 HG21 ' HB2' ' A' ' 44' ' ' ALA . 90.6 t -116.08 -46.99 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.32 -68.01 0.94 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 166.68 -54.03 0.24 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.913 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.2 t80 33.87 -148.08 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.014 -0.593 . . . . 0.0 109.799 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 159.61 84.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.706 ' OH ' HD21 ' A' ' 33' ' ' LEU . 64.4 t80 -70.18 118.69 13.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.787 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.45 102.67 53.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.33 -17.01 14.75 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.334 3.356 . . . . 0.0 109.582 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.7 -41.7 52.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.96 -45.66 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.2 -140.28 20.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.471 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 CA-C-O 122.073 0.939 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.75 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.75 HD13 ' O ' ' A' ' 23' ' ' GLY . 9.3 mm -134.17 145.08 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.96 152.27 38.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -58.66 123.9 14.58 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.368 3.379 . . . . 0.0 109.581 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.12 57.04 1.52 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -122.2 139.99 53.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.359 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 175.14 10.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -93.26 -10.54 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -10.98 26.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -98.47 -12.38 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.706 HD21 ' OH ' ' A' ' 13' ' ' TYR . 56.4 mt -51.51 146.42 12.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' LEU . 95.5 Cg_exo -42.07 165.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.318 3.345 . . . . 0.0 109.571 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.05 22.56 9.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.7 20.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -86.89 145.86 26.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 108.026 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -153.74 152.41 30.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 43' ' ' GLY . 48.3 t -43.68 100.92 0.24 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 15.9 Cg_exo -67.4 -2.3 8.0 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.308 3.339 . . . . 0.0 109.62 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.913 HG21 ' CD1' ' A' ' 11' ' ' TYR . 34.9 t -88.92 -64.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.409 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 26.6 p -103.4 -38.51 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.603 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.46 -29.13 3.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.804 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -23.05 131.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.361 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.9 p -56.91 -171.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -92.15 29.67 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -115.73 -44.25 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -41.06 -64.46 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' ALA . 88.4 m-85 -36.24 149.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.9 pt-20 -148.89 123.19 9.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 2.8 mtpm? -40.25 99.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.502 ' OXT' ' OE1' ' A' ' 52' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.228 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.0 mt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 122.116 0.96 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -114.18 141.67 47.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.85 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.855 HG23 ' OXT' ' A' ' 52' ' ' GLN . 61.6 t -129.06 138.83 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 45.0 t -72.04 150.87 43.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.428 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 6.9 p -105.94 18.47 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.902 HG21 ' HB2' ' A' ' 44' ' ' ALA . 60.4 t -114.92 -47.48 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.15 -68.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.672 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 168.42 -59.13 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.94 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 37.02 -155.28 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.034 -0.583 . . . . 0.0 109.817 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 169.59 87.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.656 ' OH ' HD21 ' A' ' 33' ' ' LEU . 74.9 t80 -82.54 145.69 29.61 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.811 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' GLY . 4.1 m-20 -136.99 140.93 32.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -84.14 -17.71 5.51 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.273 3.315 . . . . 0.0 109.588 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.47 -40.76 49.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 -34.74 9.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 77.41 -136.53 18.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 122.066 0.936 . . . . 0.0 109.307 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.639 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 23' ' ' GLY . 11.1 mm -133.89 144.54 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.0 156.35 38.02 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -64.39 137.08 53.89 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.296 3.331 . . . . 0.0 109.598 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.15 42.27 9.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.4 m -109.79 120.91 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.366 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -63.81 147.53 51.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -68.64 -17.82 64.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -7.83 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -100.51 -10.91 20.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.656 HD21 ' OH ' ' A' ' 13' ' ' TYR . 51.7 mt -50.23 147.6 7.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 33' ' ' LEU . 91.6 Cg_exo -41.78 164.64 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.288 3.326 . . . . 0.0 109.603 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -98.63 21.87 10.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -145.7 18.35 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -84.8 149.46 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -157.1 149.72 23.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 42.1 t -43.78 101.02 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 108.345 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 15.6 Cg_exo -67.68 -3.02 9.51 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.367 3.378 . . . . 0.0 109.59 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.94 HG21 ' CD1' ' A' ' 11' ' ' TYR . 47.2 t -88.57 -67.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.48 -42.73 7.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.71 -30.86 3.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.902 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -25.28 135.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.3 p -60.88 -172.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -91.85 31.02 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.74 34.86 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.428 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -128.87 -44.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 69.1 m-85 -52.78 151.66 4.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -160.62 140.26 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.415 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -40.23 102.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.855 ' OXT' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 122.103 0.954 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -140.33 126.8 20.13 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.812 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 12' ' ' GLU . 3.2 t -123.05 150.07 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.6 t -73.05 150.17 42.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.297 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.983 HG22 ' O ' ' A' ' 48' ' ' ALA . 9.9 t -111.4 17.89 19.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.553 HG23 ' HB1' ' A' ' 48' ' ' ALA . 42.6 t -111.06 -46.21 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.47 -63.06 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.1 62.61 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.991 ' HB2' HG21 ' A' ' 41' ' ' VAL . 71.0 t80 -114.46 113.11 24.04 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.824 -0.608 . . . . 0.0 109.865 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.51 ' N ' HG13 ' A' ' 5' ' ' VAL . 12.1 pt-20 -87.47 114.45 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.646 ' OH ' HD21 ' A' ' 33' ' ' LEU . 67.6 t80 -84.5 140.46 31.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.827 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.17 142.2 37.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -85.67 -23.6 2.12 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.291 3.327 . . . . 0.0 109.556 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.38 -39.63 38.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 -42.88 9.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.8 -126.5 7.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.082 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 122.08 0.943 . . . . 0.0 109.33 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.745 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 23' ' ' GLY . 7.1 mm -137.24 141.68 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 143.91 29.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.93 133.08 14.35 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.334 3.356 . . . . 0.0 109.608 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.47 50.98 3.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 m -127.56 120.62 28.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -57.15 159.74 4.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -82.95 -4.05 57.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -100.43 -23.05 14.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.79 -0.04 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.646 HD21 ' OH ' ' A' ' 13' ' ' TYR . 46.8 mt -59.43 145.49 81.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -43.47 167.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.305 3.337 . . . . 0.0 109.597 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -100.22 21.41 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -145.9 19.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -83.91 145.26 28.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 107.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.86 153.37 35.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.42 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 45.9 t -43.18 100.99 0.23 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.405 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.2 Cg_exo -68.92 -2.37 9.44 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.28 3.32 . . . . 0.0 109.612 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.991 HG21 ' HB2' ' A' ' 11' ' ' TYR . 45.7 t -88.67 -68.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.7 p -99.27 -43.09 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.73 -31.95 2.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB1' ' CB ' ' A' ' 48' ' ' ALA . . . -26.77 136.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -89.03 22.96 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.72 -7.65 10.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.983 ' O ' HG22 ' A' ' 7' ' ' THR . . . -80.18 -2.8 46.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -98.81 133.59 42.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.0 pt-20 -128.54 127.33 42.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -38.5 98.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 122.1 0.952 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 30' ' ' PHE . 61.4 m-85 -122.47 140.74 52.4 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.813 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 63.4 t -124.55 138.46 53.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 27.3 t -75.12 147.51 40.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 108.225 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -107.02 14.61 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.997 HG21 ' CB ' ' A' ' 44' ' ' ALA . 79.1 t -109.61 -46.51 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.65 -68.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.152 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.68 61.99 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.844 ' HB2' HG21 ' A' ' 41' ' ' VAL . 9.5 t80 -109.78 89.63 3.07 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.979 -0.611 . . . . 0.0 109.826 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -47.84 117.94 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.841 ' OH ' HD21 ' A' ' 33' ' ' LEU . 48.2 t80 -90.83 102.12 14.88 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.841 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.54 135.29 64.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -86.76 -26.08 1.03 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.317 3.345 . . . . 0.0 109.604 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.54 -22.9 53.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.39 -44.93 5.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.04 -131.85 11.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 122.089 0.947 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.715 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 23' ' ' GLY . 7.4 mm -137.94 141.04 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.36 147.37 37.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.48 134.49 16.33 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.374 3.383 . . . . 0.0 109.571 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.91 53.32 3.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -128.43 119.5 25.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 0.0 110.419 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -64.6 144.56 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 33.1 t80 -65.64 -10.59 37.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -89.49 8.33 31.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -125.68 12.61 7.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.841 HD21 ' OH ' ' A' ' 13' ' ' TYR . 47.1 mt -76.59 140.61 68.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' LEU . 73.7 Cg_exo -41.64 164.39 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.303 3.336 . . . . 0.0 109.581 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -93.21 23.32 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.15 22.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -78.17 156.7 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 108.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.36 163.68 39.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' ' 43' ' ' GLY . 53.9 t -65.08 114.23 14.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -54.97 -13.42 6.36 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.308 3.338 . . . . 0.0 109.559 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.844 HG21 ' HB2' ' A' ' 11' ' ' TYR . 43.8 t -83.95 -66.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.507 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 9.4 p -96.7 -48.92 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 100.19 49.08 1.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.997 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -86.67 165.28 16.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 47' ' ' ASP . 13.8 m -59.51 138.85 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.942 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -49.59 -22.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 45' ' ' SER . 5.0 t70 -84.57 48.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.34 -45.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 61.0 m-85 -63.03 151.69 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.92 ' OE1' ' OXT' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -158.56 140.19 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 4.5 mtmp? -39.94 104.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.92 ' OXT' ' OE1' ' A' ' 50' ' ' GLU . 1.2 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 122.123 0.963 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -124.82 140.83 52.57 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.829 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.878 HG13 ' O ' ' A' ' 10' ' ' GLY . 99.0 t -124.46 140.06 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.56 147.18 44.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' ALA . 6.9 p -102.39 13.63 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.951 HG21 ' HB2' ' A' ' 44' ' ' ALA . 46.5 t -107.7 -46.94 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -119.01 -68.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 108.279 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.878 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 166.45 -53.71 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.846 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.4 t80 33.36 -147.18 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.977 -0.612 . . . . 0.0 109.815 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 160.04 79.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.449 ' OH ' HD21 ' A' ' 33' ' ' LEU . 66.8 t80 -66.46 122.48 17.64 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.828 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -111.25 103.08 54.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -49.37 -24.05 8.08 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.272 3.315 . . . . 0.0 109.618 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -31.37 59.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -94.91 -49.94 5.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.19 -120.81 5.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.459 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 122.096 0.95 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.57 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.57 HD13 ' O ' ' A' ' 23' ' ' GLY . 11.5 mm -131.15 145.44 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.26 150.07 40.83 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.17 114.06 2.16 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.341 3.361 . . . . 0.0 109.595 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.53 60.78 0.98 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -120.62 138.46 53.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -73.4 149.32 42.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -74.52 -0.89 19.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.48 -21.4 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -90.0 -6.64 55.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.449 HD21 ' OH ' ' A' ' 13' ' ' TYR . 29.4 mt -45.94 148.84 1.31 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.561 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 59.2 Cg_exo -47.7 -18.73 1.07 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.328 3.352 . . . . 0.0 109.575 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 4.8 m-20 87.74 -45.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.27 -3.11 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -67.75 140.59 56.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.02 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -145.14 154.24 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 44.2 t -45.62 102.09 0.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.9 Cg_exo -68.69 -3.18 10.71 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.302 3.335 . . . . 0.0 109.6 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.846 HG21 ' CD1' ' A' ' 11' ' ' TYR . 44.7 t -88.47 -68.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.21 -44.22 7.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.279 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.602 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.74 -32.58 2.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.951 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -23.25 131.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -53.53 -171.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -89.59 24.89 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -120.03 -6.0 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.605 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -91.12 22.07 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 54.2 m-85 -121.04 150.82 40.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' LYS . 4.3 tt0 -155.37 133.77 11.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -39.96 102.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 3.4 mt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 122.121 0.963 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 13' ' ' TYR . 61.1 m-85 -131.95 125.78 32.46 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.811 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 12' ' ' GLU . 4.7 p -120.39 147.87 23.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.9 t -76.21 148.93 37.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.282 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -104.43 14.57 29.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.636 HG21 ' HB2' ' A' ' 44' ' ' ALA . 42.6 t -108.5 -45.62 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -116.89 -66.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 108.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.18 62.47 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.985 ' HB2' HG21 ' A' ' 41' ' ' VAL . 45.2 t80 -109.18 95.11 5.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.015 -0.593 . . . . 0.0 109.825 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 5' ' ' VAL . 0.8 OUTLIER -69.0 101.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.556 ' OH ' HD21 ' A' ' 33' ' ' LEU . 83.7 t80 -65.09 121.68 15.28 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.835 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -106.94 106.54 58.48 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.23 -28.77 53.8 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.305 3.336 . . . . 0.0 109.573 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.34 58.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.85 -49.46 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.21 -123.96 6.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.606 ' OD1' HG21 ' A' ' 24' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 122.084 0.945 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.0 mm -136.11 125.01 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.14 144.07 27.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.7 122.21 4.77 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.289 3.326 . . . . 0.0 109.581 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.02 59.78 1.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.7 m -126.92 121.38 31.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 149.8 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' HD12 ' A' ' 33' ' ' LEU . 72.0 t80 -75.65 -6.97 53.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -98.21 -21.95 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -86.87 1.23 53.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.556 HD21 ' OH ' ' A' ' 13' ' ' TYR . 47.1 mt -61.19 143.73 92.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -43.22 166.69 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.334 3.356 . . . . 0.0 109.61 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -98.46 21.06 11.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -145.99 19.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -84.14 142.98 29.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.027 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -148.9 153.36 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.424 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 44.9 t -43.07 100.73 0.23 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 108.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.7 Cg_exo -68.77 -3.44 11.31 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.303 3.335 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.985 HG21 ' HB2' ' A' ' 11' ' ' TYR . 47.9 t -87.02 -66.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.22 -42.68 6.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.26 -32.17 2.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.636 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -27.26 136.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.97 -168.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -89.77 24.74 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.31 -6.46 10.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.604 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -87.76 12.76 12.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -112.69 151.79 29.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 52' ' ' GLN . 7.1 pt-20 -146.0 123.49 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -40.04 100.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 122.052 0.929 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -136.24 127.81 28.76 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.846 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.937 ' CG1' ' OXT' ' A' ' 52' ' ' GLN . 5.1 p -124.85 150.96 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.0 t -75.75 146.83 39.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.246 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 p -101.84 12.09 37.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.354 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.71 HG21 ' HB2' ' A' ' 44' ' ' ALA . 30.7 t -105.42 -45.91 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -116.79 -66.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.12 62.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.917 ' HB2' HG21 ' A' ' 41' ' ' VAL . 43.7 t80 -111.12 97.49 6.84 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.001 -0.599 . . . . 0.0 109.865 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.576 ' N ' HG23 ' A' ' 5' ' ' VAL . 2.6 pt-20 -68.55 109.12 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.268 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.701 ' OH ' HD21 ' A' ' 33' ' ' LEU . 27.9 t80 -83.2 137.26 34.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.849 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.89 140.79 31.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.3 -30.36 0.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.314 3.343 . . . . 0.0 109.616 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.02 -25.54 59.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 -36.06 7.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.31 -138.51 41.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 24' ' ' ILE . 36.2 m-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 122.051 0.929 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.752 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.6 mm -134.84 140.86 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.14 143.15 26.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.92 130.79 13.3 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 0.0 109.561 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.3 52.23 2.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.5 m -127.4 122.04 32.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 161.94 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 30' ' ' PHE . 67.5 t80 -81.74 7.37 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.01 -17.58 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -94.12 3.04 55.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.701 HD21 ' OH ' ' A' ' 13' ' ' TYR . 56.5 mt -64.15 144.05 98.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.29 165.71 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.356 3.37 . . . . 0.0 109.581 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -97.65 20.24 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.82 17.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -83.79 142.09 30.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -146.86 154.27 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.433 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 49.6 t -44.27 101.55 0.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.2 Cg_exo -68.31 -3.06 10.15 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.271 3.314 . . . . 0.0 109.6 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.917 HG21 ' HB2' ' A' ' 11' ' ' TYR . 36.7 t -87.66 -66.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.9 p -101.32 -41.9 6.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.575 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 133.91 -30.31 2.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.71 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.21 135.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -53.86 -170.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -90.39 25.07 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -4.61 9.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.572 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -89.11 14.67 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 56.8 m-85 -113.91 151.38 32.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -161.04 144.19 12.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.91 103.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.937 ' OXT' ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 122.129 0.966 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 35.4 m-85 -123.47 135.89 54.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.814 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 17.8 t -111.8 137.98 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 18.5 t -76.0 144.21 41.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 108.264 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -101.56 6.77 42.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.995 HG21 ' CB ' ' A' ' 44' ' ' ALA . 95.4 t -99.32 -45.68 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -126.38 -68.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.259 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 170.32 -56.22 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.093 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.529 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.8 t80 33.74 -146.81 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.97 -0.615 . . . . 0.0 109.834 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER 164.17 84.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -74.31 119.26 18.28 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.854 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -110.86 105.17 57.01 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.02 -20.01 6.61 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 124.329 3.352 . . . . 0.0 109.628 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -21.75 57.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.5 -43.95 5.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.68 -142.15 15.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD2' ' NE1' ' A' ' 37' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 122.099 0.952 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.602 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.602 HD13 ' O ' ' A' ' 23' ' ' GLY . 4.7 mm -135.36 139.01 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -96.86 176.34 2.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 25' ' ' LYS . 8.5 Cg_exo -74.07 138.74 25.94 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.248 3.299 . . . . 0.0 109.609 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.75 46.88 36.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.591 HG21 HG23 ' A' ' 24' ' ' ILE . 91.4 m -104.68 120.2 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.401 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -67.1 150.29 49.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 58.4 t80 -72.42 -3.15 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.86 -18.99 20.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.27 7.99 43.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 60.1 mt -66.08 145.26 99.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 19.2 Cg_endo -59.18 -12.78 17.08 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.29 3.327 . . . . 0.0 109.588 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 16.3 t0 85.0 -50.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.19 -12.44 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.462 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . 92.6 t90 -56.07 153.98 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.014 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.18 156.7 39.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' GLY . 42.3 t -57.66 111.07 2.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.288 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -55.93 -11.62 5.77 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.331 3.354 . . . . 0.0 109.604 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.529 HG21 ' CD1' ' A' ' 11' ' ' TYR . 48.4 t -84.01 -70.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.4 p -94.51 -45.7 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 98.17 48.57 1.86 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.995 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -86.05 156.97 20.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.79 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 47' ' ' ASP . 22.0 p -53.23 135.48 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' CE ' ' HA ' ' A' ' 35' ' ' ASP . 14.2 ttpp -50.35 -21.82 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 45' ' ' SER . 1.1 t70 -86.5 44.82 1.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.37 -44.2 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.373 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 55.5 m-85 -59.14 150.15 26.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -145.02 123.6 12.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.602 ' O ' ' OXT' ' A' ' 52' ' ' GLN . 29.4 mtpt -39.75 106.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.75 ' HG3' ' OXT' ' A' ' 52' ' ' GLN . 24.4 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.442 HG22 ' OXT' ' A' ' 52' ' ' GLN . 19.7 mt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 122.102 0.954 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -131.64 134.74 46.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.833 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 12' ' ' GLU . 39.6 t -130.54 148.9 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.4 t -75.63 148.32 38.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.324 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -104.89 14.66 29.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.684 HG21 ' HB2' ' A' ' 44' ' ' ALA . 43.5 t -108.27 -45.91 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -117.73 -66.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.93 61.98 0.05 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 1.008 ' HB2' HG21 ' A' ' 41' ' ' VAL . 59.2 t80 -107.51 105.06 14.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.011 -0.595 . . . . 0.0 109.871 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.63 ' HA ' HG22 ' A' ' 5' ' ' VAL . 2.7 pt-20 -80.99 105.46 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' OH ' HD21 ' A' ' 33' ' ' LEU . 67.3 t80 -77.88 135.02 37.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.803 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.66 141.7 31.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -86.43 -24.79 1.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.325 3.35 . . . . 0.0 109.562 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.43 62.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -99.89 -46.0 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.05 -124.17 6.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 122.114 0.959 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.1 mm -135.88 139.24 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 145.12 30.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.4 125.43 9.05 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 124.293 3.329 . . . . 0.0 109.606 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.01 59.74 1.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -129.14 122.0 28.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.14 156.17 15.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' O ' HD12 ' A' ' 33' ' ' LEU . 76.4 t80 -78.29 -7.23 56.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.04 -21.03 17.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.35 2.18 53.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.465 HD21 ' OH ' ' A' ' 13' ' ' TYR . 45.2 mt -61.47 145.13 91.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.46 165.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.31 3.34 . . . . 0.0 109.607 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.26 22.58 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -148.81 20.43 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -85.54 143.81 28.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.965 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.06 153.52 36.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.428 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 49.4 t -42.99 100.78 0.23 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.411 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.1 Cg_exo -68.36 -2.93 9.95 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.325 3.35 . . . . 0.0 109.619 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.008 HG21 ' HB2' ' A' ' 11' ' ' TYR . 41.0 t -87.61 -66.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.8 p -101.23 -42.17 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.282 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.37 -31.4 2.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.684 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.13 135.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -54.13 -170.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -90.16 25.09 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -119.56 -5.47 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.583 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -90.34 17.13 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 50.4 m-85 -114.89 152.06 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -161.85 145.77 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -40.22 102.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.442 ' OXT' HG22 ' A' ' 3' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 122.093 0.949 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -136.94 122.63 19.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.824 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 7.6 p -117.53 145.36 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.8 t -75.23 147.71 40.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 p -102.75 14.55 31.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.671 HG21 ' HB2' ' A' ' 44' ' ' ALA . 40.0 t -108.5 -44.79 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -118.03 -66.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 108.251 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.12 62.95 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.908 ' CB ' HG21 ' A' ' 41' ' ' VAL . 18.2 t80 -112.49 88.83 2.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.003 -0.598 . . . . 0.0 109.827 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -56.4 104.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.637 ' OH ' HD21 ' A' ' 33' ' ' LEU . 60.1 t80 -71.79 140.97 49.68 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.863 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.91 141.62 41.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -87.21 -24.48 1.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.308 3.339 . . . . 0.0 109.632 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.25 -28.12 59.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -103.1 -40.72 6.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.88 -130.75 10.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 122.118 0.961 . . . . 0.0 109.283 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.533 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.533 HD13 ' O ' ' A' ' 23' ' ' GLY . 27.3 mm -127.06 134.6 65.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -102.55 176.11 1.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 25' ' ' LYS . 13.8 Cg_exo -71.03 133.55 23.46 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.301 3.334 . . . . 0.0 109.56 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.51 49.43 3.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.1 m -125.74 122.99 37.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.76 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -68.54 148.07 51.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -69.67 -5.64 26.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.59 -17.55 17.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -89.44 -1.02 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.637 HD21 ' OH ' ' A' ' 13' ' ' TYR . 50.2 mt -58.76 144.48 80.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 28.0 Cg_endo -62.7 163.13 22.49 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.3 3.333 . . . . 0.0 109.59 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 87.9 m-20 -90.94 88.58 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 3.8 m-20 156.5 -25.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.536 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . 79.2 t90 -48.12 134.19 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 107.968 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -138.47 155.5 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 45.9 t -44.64 101.59 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 12.0 Cg_exo -69.69 -2.41 10.07 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.36 3.373 . . . . 0.0 109.608 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.908 HG21 ' CB ' ' A' ' 11' ' ' TYR . 44.3 t -87.88 -62.19 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.2 p -106.15 -40.66 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.3 -30.2 2.94 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.671 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -27.22 137.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.743 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -62.77 -171.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -90.87 35.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -117.01 -38.58 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -51.94 -62.28 1.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' ALA . 96.0 m-85 -35.73 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 52' ' ' GLN . 10.2 pt-20 -149.12 122.15 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -40.33 98.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' GLU . 6.0 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 122.115 0.959 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -120.75 130.04 53.87 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.781 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.55 HG23 ' HG2' ' A' ' 52' ' ' GLN . 23.9 t -114.88 134.4 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.3 t -69.85 149.0 48.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.516 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 16.5 p -104.33 21.33 16.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.716 HG21 ' HB2' ' A' ' 44' ' ' ALA . 89.6 t -117.86 -47.05 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.27 -68.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 108.266 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 168.0 -54.2 0.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.885 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 34.63 -150.3 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.0 -0.6 . . . . 0.0 109.84 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 162.56 78.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.62 ' OH ' HD21 ' A' ' 33' ' ' LEU . 72.4 t80 -69.01 143.84 54.25 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.838 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -135.75 138.17 27.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.23 -38.26 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.334 3.356 . . . . 0.0 109.552 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.1 -26.97 63.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.87 -49.3 4.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 72.96 -153.48 48.61 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 122.086 0.946 . . . . 0.0 109.326 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.72 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.72 HD13 ' O ' ' A' ' 23' ' ' GLY . 13.5 mm -131.98 139.69 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.12 150.74 38.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -58.17 119.54 6.86 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.331 3.354 . . . . 0.0 109.572 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.43 59.61 1.08 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.5 m -125.75 132.49 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -71.71 157.75 37.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -78.69 3.5 16.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -109.01 -29.97 8.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -78.74 -3.7 45.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.62 HD21 ' OH ' ' A' ' 13' ' ' TYR . 58.0 mt -47.83 146.75 3.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.552 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 20.3 Cg_exo -32.6 -70.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.324 3.349 . . . . 0.0 109.591 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 3.7 m-20 151.97 -49.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.11 23.74 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -79.19 139.05 38.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 108.01 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -145.14 155.17 43.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 49.9 t -44.89 101.67 0.27 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.28 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -67.92 -2.3 8.45 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.324 3.349 . . . . 0.0 109.623 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.885 HG21 ' CD1' ' A' ' 11' ' ' TYR . 31.0 t -88.55 -65.12 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.44 ' SG ' HG11 ' A' ' 8' ' ' VAL . 26.3 p -104.08 -37.21 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.41 -28.48 3.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -20.58 127.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -55.1 -172.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HE2' HD12 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -92.4 34.23 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.52 -42.95 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.516 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -41.91 -65.24 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' ALA . 87.6 m-85 -35.24 149.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' GLN . 9.1 pt-20 -148.22 122.6 9.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.44 98.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.662 ' OXT' ' CG ' ' A' ' 52' ' ' GLN . 1.2 pp0? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.498 0.189 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.38 45.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 mt -101.69 148.04 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -137.19 126.35 24.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.836 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.576 HG23 ' N ' ' A' ' 12' ' ' GLU . 5.8 p -123.45 148.26 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -79.5 139.81 37.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.274 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.503 HG21 ' OE2' ' A' ' 50' ' ' GLU . 3.1 p -94.04 -3.11 51.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.735 HG21 ' HB2' ' A' ' 44' ' ' ALA . 20.0 t -85.81 -45.44 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -117.27 -63.6 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.94 61.26 0.2 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.952 ' CB ' HG21 ' A' ' 41' ' ' VAL . 4.8 t80 -118.26 95.7 5.0 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.02 -0.59 . . . . 0.0 109.843 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.576 ' N ' HG23 ' A' ' 5' ' ' VAL . 9.1 pt-20 -55.55 117.84 3.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.822 ' OH ' HD21 ' A' ' 33' ' ' LEU . 25.0 t80 -57.92 -45.87 85.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.855 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 17' ' ' LYS . 63.8 m-20 50.22 99.85 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.4 -33.14 36.52 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.289 3.326 . . . . 0.0 109.649 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.03 -21.01 57.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HB2' ' CB ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -87.99 -32.11 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.62 -135.49 4.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -149.95 134.09 9.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.081 0.943 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -87.31 -45.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.297 3.332 . . . . 0.0 109.557 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 22' ' ' SER . 60.4 m-20 -97.99 95.35 7.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER 159.87 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.489 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 97.48 59.15 0.98 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 23' ' ' GLY . 11.7 mm -130.25 140.26 49.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.22 150.33 40.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.68 105.2 0.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.296 3.331 . . . . 0.0 109.59 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.24 65.13 0.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.443 1.089 . . . . 0.0 111.002 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.5 m -121.55 137.17 54.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.14 139.5 56.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -71.26 -4.62 26.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.12 -23.1 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -86.76 -2.61 58.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.822 HD21 ' OH ' ' A' ' 13' ' ' TYR . 72.5 mt -58.45 146.96 70.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' LEU . 87.2 Cg_exo -42.31 165.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.323 3.349 . . . . 0.0 109.621 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -98.48 20.49 12.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -144.87 18.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.373 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -82.97 145.81 29.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 107.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 40' ' ' PRO . . . -152.82 153.41 33.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.407 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 47.4 t -42.2 100.31 0.22 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ALA . 15.0 Cg_exo -67.94 -4.87 13.24 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.3 3.333 . . . . 0.0 109.595 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.952 HG21 ' CB ' ' A' ' 11' ' ' TYR . 61.6 t -85.54 -66.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -100.19 -45.5 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.584 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 137.66 -32.58 2.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.735 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -24.68 133.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -90.53 38.65 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.34 9.57 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.64 -23.14 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -70.5 151.38 45.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.503 ' OE2' HG21 ' A' ' 7' ' ' THR . 5.7 pt-20 -143.89 124.15 13.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -42.62 100.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mtt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.47 0.176 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -162.7 133.25 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -111.35 152.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 51' ' ' LYS . 64.2 m-85 -132.87 122.91 25.08 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.754 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 9.7 p -117.86 147.54 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.1 t -75.14 148.07 39.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.402 HG21 ' OE2' ' A' ' 50' ' ' GLU . 6.1 p -103.52 16.75 25.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.608 HG21 ' HB2' ' A' ' 44' ' ' ALA . 48.2 t -111.47 -45.14 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.2 -68.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.8 62.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.916 ' HB2' HG21 ' A' ' 41' ' ' VAL . 43.3 t80 -102.55 98.89 8.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.961 -0.62 . . . . 0.0 109.807 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 95.07 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.706 ' OH ' HD21 ' A' ' 33' ' ' LEU . 67.5 t80 -73.26 141.69 47.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -128.54 141.74 42.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.45 -36.9 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.335 3.356 . . . . 0.0 109.575 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.41 -23.71 58.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.14 -50.96 4.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.22 -146.89 28.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -143.17 75.16 17.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.063 0.935 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -71.7 54.1 1.95 Allowed 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 124.311 3.341 . . . . 0.0 109.594 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -133.62 -74.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -50.65 73.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.95 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 162.01 54.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.564 HD13 ' O ' ' A' ' 23' ' ' GLY . 24.5 mm -128.89 138.05 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -95.03 155.5 38.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -63.41 134.8 46.61 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.301 3.334 . . . . 0.0 109.571 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.07 44.29 6.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.9 m -113.53 121.84 45.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.416 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -56.94 150.76 16.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -76.42 -3.35 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -101.47 -21.49 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.5 0.44 55.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.706 HD21 ' OH ' ' A' ' 13' ' ' TYR . 46.0 mt -58.59 145.35 77.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.3 165.27 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.314 3.343 . . . . 0.0 109.583 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -98.35 22.51 9.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.8 20.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -85.59 144.98 27.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 108.022 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -151.61 153.11 33.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.441 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 48.8 t -42.98 100.68 0.23 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.3 Cg_exo -69.05 -2.36 9.52 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.31 3.34 . . . . 0.0 109.569 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.916 HG21 ' HB2' ' A' ' 11' ' ' TYR . 44.7 t -87.74 -62.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -106.77 -39.17 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 108.251 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 133.42 -29.83 3.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.608 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.11 135.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -60.28 -171.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -91.08 36.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -117.6 -49.87 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -40.26 -60.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ALA . 85.3 m-85 -36.07 149.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.4 pt-20 -149.58 122.01 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -44.63 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.514 0.197 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -171.88 96.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -98.14 149.41 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' A' ' 30' ' ' PHE . 37.7 m-85 -119.67 128.86 54.22 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.87 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 10' ' ' GLY . 39.0 t -118.87 135.73 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.3 t -71.01 148.84 47.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 108.333 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.412 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 12.4 p -105.02 20.49 18.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.771 HG21 ' HB2' ' A' ' 44' ' ' ALA . 79.0 t -116.01 -46.56 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.17 -67.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 108.326 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.595 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 166.92 -56.33 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.9 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.0 t80 35.29 -151.26 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.972 -0.614 . . . . 0.0 109.851 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 1.5 pt-20 163.58 82.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.724 ' OH ' HD21 ' A' ' 33' ' ' LEU . 75.9 t80 -77.71 145.18 36.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.804 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' GLY . 7.0 m-20 -140.99 139.61 19.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -80.94 -17.33 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.351 3.367 . . . . 0.0 109.563 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.32 -41.53 56.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.74 -36.48 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.88 -139.71 23.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -137.85 64.83 43.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 122.057 0.932 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 21.2 Cg_endo -60.73 -164.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.308 3.339 . . . . 0.0 109.673 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 3.2 t70 81.62 33.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t 69.82 95.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.027 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.469 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 157.43 -58.39 0.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.469 HD13 ' O ' ' A' ' 23' ' ' GLY . 18.9 mm -125.76 145.15 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 153.02 40.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.22 132.68 39.94 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.338 3.359 . . . . 0.0 109.564 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.62 48.6 4.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.4 m -116.88 122.9 45.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 161.72 12.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.454 ' CD2' ' CE2' ' A' ' 4' ' ' TYR . 76.4 t80 -84.81 4.07 34.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -6.4 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -104.45 -8.71 18.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.724 HD21 ' OH ' ' A' ' 13' ' ' TYR . 62.7 mt -49.85 146.72 7.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 33' ' ' LEU . 78.9 Cg_exo -41.11 163.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.311 3.34 . . . . 0.0 109.608 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.04 23.91 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -151.7 22.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -87.29 145.21 26.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -153.28 152.45 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' GLY . 48.8 t -43.32 100.81 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 15.9 Cg_exo -67.44 -2.02 7.55 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.343 3.362 . . . . 0.0 109.559 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.9 HG21 ' CD1' ' A' ' 11' ' ' TYR . 32.9 t -89.16 -64.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.301 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.8 p -103.22 -38.12 7.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.47 -29.42 3.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.771 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -23.55 131.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 30' ' ' PHE . 15.1 ttpp -92.28 30.92 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.01 -43.9 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.412 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -43.86 -62.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' ALA . 84.3 m-85 -36.53 149.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.3 pt-20 -149.09 122.31 8.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLU . 18.4 ttpt -40.2 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 ttp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.511 0.196 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -172.64 135.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.419 ' CG1' ' OD1' ' A' ' 14' ' ' ASP . 3.1 mp -96.16 150.33 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -118.5 124.28 47.18 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.814 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 10' ' ' GLY . 13.1 t -110.69 136.44 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 43.7 t -71.13 149.23 46.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 108.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.47 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 16.7 p -104.7 21.35 17.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.392 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.874 HG21 ' HB2' ' A' ' 44' ' ' ALA . 87.8 t -117.83 -47.18 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -120.32 -68.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.486 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 168.26 -54.68 0.22 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.9 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 34.68 -150.18 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.964 -0.618 . . . . 0.0 109.841 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 163.08 80.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.341 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.612 ' OH ' HD21 ' A' ' 33' ' ' LEU . 75.6 t80 -72.16 144.96 48.39 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.832 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' OD1' ' CG1' ' A' ' 3' ' ' ILE . 2.3 m-20 -137.23 137.24 22.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -82.72 -39.36 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.303 3.335 . . . . 0.0 109.606 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.05 -26.49 63.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -97.15 -52.16 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.39 -155.01 39.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.21 83.58 65.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 122.086 0.946 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -71.39 96.39 0.73 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.319 3.346 . . . . 0.0 109.616 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 179.26 60.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m 39.57 52.55 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.542 ' O ' HD13 ' A' ' 24' ' ' ILE . . . -153.42 -57.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.542 HD13 ' O ' ' A' ' 23' ' ' GLY . 25.1 mm -126.59 145.4 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.54 150.18 37.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.43 123.49 13.49 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.6 57.13 1.56 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 m -123.88 132.19 53.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -72.34 153.16 41.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -75.27 -0.28 19.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.45 -19.41 13.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -90.53 -1.03 57.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.612 HD21 ' OH ' ' A' ' 13' ' ' TYR . 50.0 mt -49.82 146.48 7.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 30.7 Cg_exo -31.87 -70.82 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.35 3.367 . . . . 0.0 109.572 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 2.6 m-20 151.8 -49.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.44 21.43 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.47 ' HB3' ' CE ' ' A' ' 46' ' ' LYS . 75.2 t90 -78.86 138.79 38.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -145.32 154.31 42.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' GLY . 49.5 t -44.43 101.34 0.25 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 108.266 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.9 Cg_exo -68.06 -2.72 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.358 3.372 . . . . 0.0 109.581 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.9 HG21 ' CD1' ' A' ' 11' ' ' TYR . 35.0 t -87.95 -62.93 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' HG11 ' A' ' 8' ' ' VAL . 27.3 p -105.18 -40.02 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.619 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 132.66 -30.52 3.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.874 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -21.64 128.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.78 -171.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' CE ' ' HB3' ' A' ' 37' ' ' TRP . 11.6 ttmt -92.83 30.34 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -116.66 -39.05 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.47 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -45.18 -65.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ALA . 91.6 m-85 -35.78 149.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.6 pt-20 -148.3 122.39 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -40.51 98.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.522 0.201 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 165.05 -72.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 6.0 mt -104.28 149.24 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 34.4 m-85 -132.5 139.75 48.06 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.833 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.0 p -128.52 141.49 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.08 148.33 39.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.275 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' ALA . 7.3 p -103.56 15.23 29.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 44' ' ' ALA . 40.2 t -109.54 -45.18 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.93 -68.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.281 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.2 62.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.889 ' HB2' HG21 ' A' ' 41' ' ' VAL . 45.8 t80 -101.01 100.77 11.42 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.026 -0.587 . . . . 0.0 109.878 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.31 89.17 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.794 ' OH ' HD21 ' A' ' 33' ' ' LEU . 72.8 t80 -69.29 144.19 53.64 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.832 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.28 140.5 38.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -83.46 -23.56 3.35 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.271 3.314 . . . . 0.0 109.56 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.18 -31.99 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 -40.86 7.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.2 -127.47 8.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -155.99 75.05 4.96 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.061 0.934 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -76.85 89.61 1.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.34 3.36 . . . . 0.0 109.6 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.1 t70 179.22 -56.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -80.64 -56.94 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.814 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 174.17 47.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.814 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.5 mm -137.04 131.72 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -106.76 146.75 33.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.93 135.96 13.8 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.357 3.371 . . . . 0.0 109.573 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.37 48.49 4.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.6 m -124.85 121.47 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.04 148.91 42.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -72.71 -2.77 21.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.14 -22.74 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.14 0.54 53.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.794 HD21 ' OH ' ' A' ' 13' ' ' TYR . 46.8 mt -59.87 144.55 85.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.162 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -43.36 167.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.355 3.37 . . . . 0.0 109.571 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -98.84 21.25 11.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -145.87 18.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -85.43 142.36 29.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -149.1 154.05 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' GLY . 50.1 t -42.67 100.52 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.5 Cg_exo -68.7 -2.77 9.96 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.34 3.36 . . . . 0.0 109.612 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.889 HG21 ' HB2' ' A' ' 11' ' ' TYR . 43.6 t -87.13 -61.31 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.9 p -106.58 -40.91 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.574 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 132.43 -30.51 3.14 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.79 136.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.43 -170.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -90.96 25.98 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -119.87 -5.42 10.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.467 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -90.73 17.39 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 53.9 m-85 -115.08 150.67 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -148.97 122.74 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -40.38 105.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.506 0.193 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -118.55 147.14 44.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mt -107.99 147.18 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -109.16 135.26 50.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.867 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 40.0 t -116.36 132.31 66.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.459 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 48.6 t -68.64 150.55 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.596 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 7.8 p -106.0 20.33 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.097 HG21 ' HB2' ' A' ' 44' ' ' ALA . 83.3 t -117.54 -48.53 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.15 -69.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 168.81 -55.42 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.928 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 35.33 -151.3 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.009 -0.596 . . . . 0.0 109.811 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 163.39 79.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.41 ' OH ' HD21 ' A' ' 33' ' ' LEU . 64.1 t80 -64.33 119.07 9.64 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.863 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -111.73 102.24 53.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.29 -18.01 17.35 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.322 3.348 . . . . 0.0 109.62 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.95 -32.81 65.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -41.87 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.57 -120.98 6.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.53 141.46 6.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 122.048 0.928 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -87.52 -44.82 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.304 3.336 . . . . 0.0 109.604 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -69.56 156.34 39.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 m 76.28 -56.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.637 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 126.22 89.63 0.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.637 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.4 mm -134.02 145.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -96.62 150.6 37.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -59.09 115.5 2.6 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.316 3.344 . . . . 0.0 109.584 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.9 61.16 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.2 m -123.26 133.31 54.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.34 164.6 26.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -84.43 1.15 46.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -108.57 -7.23 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.52 1.91 27.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' HB2' ' NZ ' ' A' ' 46' ' ' LYS . 51.7 mt -54.72 146.55 35.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 13.1 Cg_exo -33.49 -70.13 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.333 3.355 . . . . 0.0 109.547 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 150.7 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.92 22.28 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -78.3 143.72 36.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.41 152.09 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -44.3 101.38 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.7 Cg_exo -68.23 -3.91 11.71 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.337 3.358 . . . . 0.0 109.559 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.928 HG21 ' CD1' ' A' ' 11' ' ' TYR . 47.8 t -87.35 -67.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.507 ' SG ' HG11 ' A' ' 8' ' ' VAL . 29.2 p -96.82 -45.82 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.614 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.57 -33.15 2.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.097 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -21.12 128.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -52.51 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 33' ' ' LEU . 11.1 ttpt -92.34 30.55 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -130.95 33.87 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.596 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -124.09 -42.19 2.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 71.9 m-85 -55.17 150.44 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -145.73 123.6 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -47.03 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.505 0.193 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -172.84 81.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.486 ' HA ' HD13 ' A' ' 3' ' ' ILE . 2.7 mm -106.71 154.67 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 13' ' ' TYR . 55.2 m-85 -130.78 139.04 50.19 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.842 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 p -132.59 147.09 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.3 t -77.82 148.56 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -103.27 13.33 34.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.707 HG21 ' HB2' ' A' ' 44' ' ' ALA . 51.3 t -107.66 -45.96 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -117.83 -67.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.25 62.9 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.138 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.883 ' CB ' HG21 ' A' ' 41' ' ' VAL . 13.8 t80 -111.67 89.6 3.1 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.875 -0.584 . . . . 0.0 109.81 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 109.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.744 ' OH ' HD21 ' A' ' 33' ' ' LEU . 37.1 t80 -84.83 115.88 22.98 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.82 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -94.66 139.82 22.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -86.97 -29.36 0.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.313 3.342 . . . . 0.0 109.608 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.88 -22.74 58.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.35 -49.96 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.67 -130.88 11.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -150.29 64.21 6.56 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.012 0.911 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 13.7 Cg_endo -56.51 -162.0 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.287 3.324 . . . . 0.0 109.592 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 60.39 53.05 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.27 101.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.47 -85.28 0.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.0 mm -121.53 143.95 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -90.43 157.67 44.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.62 135.72 36.88 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.294 3.329 . . . . 0.0 109.619 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.26 40.18 9.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 m -109.94 121.97 46.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -60.24 154.87 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 30' ' ' PHE . 73.2 t80 -80.17 4.01 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -106.81 -16.69 14.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -95.67 3.77 53.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.744 HD21 ' OH ' ' A' ' 13' ' ' TYR . 47.9 mt -62.62 145.16 95.53 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -43.6 165.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.252 3.301 . . . . 0.0 109.598 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -98.03 20.83 11.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -144.25 17.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -84.13 145.63 28.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -151.5 150.82 30.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLY . 45.2 t -43.62 100.86 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.0 Cg_exo -68.53 -4.09 12.36 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.332 3.355 . . . . 0.0 109.619 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.883 HG21 ' CB ' ' A' ' 11' ' ' TYR . 52.3 t -86.25 -61.59 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.36 -43.07 5.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 108.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.12 -31.79 2.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.707 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -25.56 134.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.3 p -60.4 -173.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -90.54 38.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.24 19.5 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.97 -29.98 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -66.37 151.55 46.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -145.72 123.76 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 108.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.482 0.182 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 27.8 m-20 -103.16 64.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.405 HG23 ' OD1' ' A' ' 14' ' ' ASP . 2.5 mp -92.64 148.63 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -116.36 124.0 49.0 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.818 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 51' ' ' LYS . 9.7 p -99.2 130.2 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 37.1 t -65.35 148.44 51.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.432 HG22 ' HB1' ' A' ' 48' ' ' ALA . 8.0 t -111.7 19.68 17.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.054 HG21 ' CB ' ' A' ' 44' ' ' ALA . 74.9 t -114.48 -46.82 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -126.28 -65.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 171.64 -62.71 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CD1' HG21 ' A' ' 41' ' ' VAL . 3.1 t80 34.97 -150.79 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.027 -0.586 . . . . 0.0 109.817 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 169.19 89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -80.94 121.71 26.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' LYS . 1.4 m-20 -120.72 111.49 34.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HG2' ' O ' ' A' ' 2' ' ' ASP . 86.2 Cg_exo -49.15 -21.41 4.22 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.264 3.309 . . . . 0.0 109.659 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.79 -30.78 61.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -93.71 -46.32 7.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.34 -140.52 19.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -156.9 73.97 4.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.11 0.957 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.88 -10.68 23.62 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.313 3.342 . . . . 0.0 109.584 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -114.42 37.38 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.21 29.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 64.33 45.79 92.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 23' ' ' GLY . 9.7 mm -136.48 141.84 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -103.62 145.42 30.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 74.6 Cg_exo -45.99 121.97 4.82 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.316 3.344 . . . . 0.0 109.581 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.04 65.68 1.22 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.5 m -130.83 121.29 25.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.351 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 151.84 38.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CD2' ' O ' ' A' ' 30' ' ' PHE . 65.6 t80 -76.21 0.62 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -102.52 -11.65 18.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -102.22 8.03 40.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' PRO . 68.8 mt -62.91 143.66 97.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 81.0 Cg_exo -33.83 -69.48 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.324 3.349 . . . . 0.0 109.591 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 5.4 m-20 153.65 -47.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -97.34 28.74 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.407 ' CZ3' ' CE2' ' A' ' 49' ' ' PHE . 88.3 t90 -73.62 151.77 40.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 107.937 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.42 167.65 25.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.8 t -71.0 115.18 33.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 108.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -55.83 -10.85 4.43 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.296 3.331 . . . . 0.0 109.62 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.517 HG21 ' CD1' ' A' ' 11' ' ' TYR . 39.5 t -87.56 -68.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 8.4 p -93.36 -47.07 7.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 97.08 49.9 1.83 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.054 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -89.77 152.02 21.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.73 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -52.44 139.35 25.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -44.66 -26.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 45' ' ' SER . 54.2 m-20 -57.2 -40.02 76.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' SER . . . -39.26 -84.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 96.0 m-85 -33.93 131.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -147.84 72.73 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.597 ' O ' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER 61.23 147.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.551 ' HA ' HG12 ' A' ' 5' ' ' VAL . 2.0 pt20 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.527 0.203 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -171.89 69.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mt -106.64 147.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 30' ' ' PHE . 25.7 m-85 -117.95 142.36 47.43 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.787 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.25 127.25 75.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 20.7 t -69.33 146.82 51.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -109.59 14.05 23.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 110.4 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.98 HG21 ' CB ' ' A' ' 44' ' ' ALA . 84.3 t -107.61 -47.88 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -123.65 -65.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 108.288 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.8 61.41 0.1 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.816 ' HB2' HG21 ' A' ' 41' ' ' VAL . 7.6 t80 -114.95 91.44 3.62 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.825 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.09 117.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 43.9 t80 -83.43 67.32 9.28 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.835 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -56.32 111.21 2.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.41 -21.6 14.17 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.336 3.358 . . . . 0.0 109.606 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.53 -24.26 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -94.41 -17.68 22.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.28 -127.57 4.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.12 87.31 1.68 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 122.063 0.935 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.09 -6.29 16.5 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.344 3.363 . . . . 0.0 109.59 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.95 62.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.48 -36.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.057 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 131.85 43.51 0.17 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.523 HD13 ' O ' ' A' ' 23' ' ' GLY . 6.5 mm -134.18 143.87 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -114.91 145.39 33.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.33 132.79 15.64 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.296 3.331 . . . . 0.0 109.587 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.2 48.96 3.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.4 m -125.52 119.09 27.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -61.9 149.87 39.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 22.8 t80 -73.23 -8.14 54.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -92.93 -12.08 31.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -101.76 9.53 40.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD21 ' OH ' ' A' ' 13' ' ' TYR . 71.5 mt -67.39 144.29 97.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 77.6 Cg_exo -38.19 -69.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.301 3.334 . . . . 0.0 109.628 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 153.75 -46.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -92.47 25.32 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.421 ' CZ3' ' CE1' ' A' ' 49' ' ' PHE . 90.1 t90 -68.65 160.73 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.75 161.13 41.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.7 t -65.4 114.5 15.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -54.74 -12.58 4.73 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.294 3.329 . . . . 0.0 109.565 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.816 HG21 ' HB2' ' A' ' 11' ' ' TYR . 44.2 t -85.6 -67.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.505 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 9.7 p -93.76 -47.69 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.347 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 98.35 47.42 2.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.98 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -86.66 163.68 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -57.52 139.77 52.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -51.01 -21.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -85.64 47.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.09 -44.65 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 61.6 m-85 -63.65 151.77 40.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -143.31 124.55 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.904 ' O ' ' OXT' ' A' ' 52' ' ' GLN . 4.2 ttpm? -43.62 101.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.904 ' OXT' ' O ' ' A' ' 51' ' ' LYS . 16.3 pt20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.53 0.205 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 0.4 OUTLIER 171.79 110.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.72 149.56 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 31.6 m-85 -114.35 131.13 56.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.776 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' GLY . 39.2 t -117.05 133.89 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.63 148.29 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 p -105.38 20.84 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.804 HG21 ' HB2' ' A' ' 44' ' ' ALA . 90.6 t -116.08 -46.99 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.32 -68.01 0.94 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 166.68 -54.03 0.24 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.913 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.2 t80 33.87 -148.08 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.014 -0.593 . . . . 0.0 109.799 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 159.61 84.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.706 ' OH ' HD21 ' A' ' 33' ' ' LEU . 64.4 t80 -70.18 118.69 13.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.787 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.45 102.67 53.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HG2' ' O ' ' A' ' 2' ' ' ASP . 52.3 Cg_exo -55.33 -17.01 14.75 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.334 3.356 . . . . 0.0 109.582 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.7 -41.7 52.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.96 -45.66 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.2 -140.28 20.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.471 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -128.5 89.22 50.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.073 0.939 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -81.25 54.45 5.19 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.316 3.344 . . . . 0.0 109.589 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -132.2 35.81 3.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.62 70.45 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.032 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.75 ' O ' HD13 ' A' ' 24' ' ' ILE . . . -177.71 -37.01 0.06 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.75 HD13 ' O ' ' A' ' 23' ' ' GLY . 9.3 mm -134.17 145.08 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.96 152.27 38.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -58.66 123.9 14.58 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.368 3.379 . . . . 0.0 109.581 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.12 57.04 1.52 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -122.2 139.99 53.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.359 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 175.14 10.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -93.26 -10.54 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -10.98 26.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -98.47 -12.38 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.706 HD21 ' OH ' ' A' ' 13' ' ' TYR . 56.4 mt -51.51 146.42 12.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' LEU . 95.5 Cg_exo -42.07 165.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.318 3.345 . . . . 0.0 109.571 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.05 22.56 9.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.7 20.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -86.89 145.86 26.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 108.026 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -153.74 152.41 30.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 43' ' ' GLY . 48.3 t -43.68 100.92 0.24 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 15.9 Cg_exo -67.4 -2.3 8.0 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.308 3.339 . . . . 0.0 109.62 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.913 HG21 ' CD1' ' A' ' 11' ' ' TYR . 34.9 t -88.92 -64.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 26.6 p -103.4 -38.51 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.603 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.46 -29.13 3.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.804 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -23.05 131.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.361 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.9 p -56.91 -171.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -92.15 29.67 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -115.73 -44.25 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -41.06 -64.46 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' ALA . 88.4 m-85 -36.24 149.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.9 pt-20 -148.89 123.19 9.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 2.8 mtpm? -40.25 99.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.502 ' OXT' ' OE1' ' A' ' 52' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.228 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.527 0.203 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.13 57.28 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.0 mt -112.37 148.75 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -114.18 141.67 47.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.85 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.855 HG23 ' OXT' ' A' ' 52' ' ' GLN . 61.6 t -129.06 138.83 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 45.0 t -72.04 150.87 43.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.428 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 6.9 p -105.94 18.47 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.902 HG21 ' HB2' ' A' ' 44' ' ' ALA . 60.4 t -114.92 -47.48 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.15 -68.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.672 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 168.42 -59.13 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.94 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 37.02 -155.28 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.034 -0.583 . . . . 0.0 109.817 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 169.59 87.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.656 ' OH ' HD21 ' A' ' 33' ' ' LEU . 74.9 t80 -82.54 145.69 29.61 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.811 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' GLY . 4.1 m-20 -136.99 140.93 32.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -84.14 -17.71 5.51 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.273 3.315 . . . . 0.0 109.588 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.47 -40.76 49.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 -34.74 9.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 77.41 -136.53 18.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -130.89 88.74 44.98 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 122.066 0.936 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -89.13 43.23 0.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.281 3.321 . . . . 0.0 109.597 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -165.38 52.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 p -177.88 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.639 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 151.81 51.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 23' ' ' GLY . 11.1 mm -133.89 144.54 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.0 156.35 38.02 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -64.39 137.08 53.89 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.296 3.331 . . . . 0.0 109.598 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.15 42.27 9.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.4 m -109.79 120.91 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.366 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -63.81 147.53 51.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -68.64 -17.82 64.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -7.83 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -100.51 -10.91 20.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.656 HD21 ' OH ' ' A' ' 13' ' ' TYR . 51.7 mt -50.23 147.6 7.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 33' ' ' LEU . 91.6 Cg_exo -41.78 164.64 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.288 3.326 . . . . 0.0 109.603 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -98.63 21.87 10.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -145.7 18.35 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -84.8 149.46 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -157.1 149.72 23.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 42.1 t -43.78 101.02 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 108.345 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 15.6 Cg_exo -67.68 -3.02 9.51 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.367 3.378 . . . . 0.0 109.59 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.94 HG21 ' CD1' ' A' ' 11' ' ' TYR . 47.2 t -88.57 -67.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.48 -42.73 7.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.71 -30.86 3.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.902 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -25.28 135.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.3 p -60.88 -172.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -91.85 31.02 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.74 34.86 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.428 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -128.87 -44.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 69.1 m-85 -52.78 151.66 4.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -160.62 140.26 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.415 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -40.23 102.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.855 ' OXT' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.473 0.178 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.25 79.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mt -108.21 148.25 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -140.33 126.8 20.13 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.812 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 12' ' ' GLU . 3.2 t -123.05 150.07 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.6 t -73.05 150.17 42.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.297 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.983 HG22 ' O ' ' A' ' 48' ' ' ALA . 9.9 t -111.4 17.89 19.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.553 HG23 ' HB1' ' A' ' 48' ' ' ALA . 42.6 t -111.06 -46.21 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.47 -63.06 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.1 62.61 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.991 ' HB2' HG21 ' A' ' 41' ' ' VAL . 71.0 t80 -114.46 113.11 24.04 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.824 -0.608 . . . . 0.0 109.865 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.51 ' N ' HG13 ' A' ' 5' ' ' VAL . 12.1 pt-20 -87.47 114.45 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.646 ' OH ' HD21 ' A' ' 33' ' ' LEU . 67.6 t80 -84.5 140.46 31.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.827 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.17 142.2 37.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -85.67 -23.6 2.12 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.291 3.327 . . . . 0.0 109.556 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.38 -39.63 38.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 -42.88 9.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.8 -126.5 7.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.082 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -161.49 80.04 2.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 122.08 0.943 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -38.41 -48.73 2.46 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.34 3.36 . . . . 0.0 109.583 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 22' ' ' SER . 24.9 p30 -61.39 153.54 26.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 2.3 t 84.34 -56.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.745 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 142.73 64.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 23' ' ' GLY . 7.1 mm -137.24 141.68 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 143.91 29.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.93 133.08 14.35 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.334 3.356 . . . . 0.0 109.608 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.47 50.98 3.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 m -127.56 120.62 28.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -57.15 159.74 4.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -82.95 -4.05 57.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -100.43 -23.05 14.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.79 -0.04 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.646 HD21 ' OH ' ' A' ' 13' ' ' TYR . 46.8 mt -59.43 145.49 81.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -43.47 167.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.305 3.337 . . . . 0.0 109.597 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -100.22 21.41 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -145.9 19.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -83.91 145.26 28.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 107.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.86 153.37 35.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.42 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 45.9 t -43.18 100.99 0.23 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.405 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.2 Cg_exo -68.92 -2.37 9.44 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.28 3.32 . . . . 0.0 109.612 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.991 HG21 ' HB2' ' A' ' 11' ' ' TYR . 45.7 t -88.67 -68.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.7 p -99.27 -43.09 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.73 -31.95 2.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB1' ' CB ' ' A' ' 48' ' ' ALA . . . -26.77 136.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -89.03 22.96 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.72 -7.65 10.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.983 ' O ' HG22 ' A' ' 7' ' ' THR . . . -80.18 -2.8 46.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -98.81 133.59 42.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.0 pt-20 -128.54 127.33 42.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -38.5 98.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.545 0.212 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 15' ' ' PRO . 6.6 m-20 40.33 86.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mt -113.24 146.92 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 30' ' ' PHE . 61.4 m-85 -122.47 140.74 52.4 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.813 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 63.4 t -124.55 138.46 53.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 27.3 t -75.12 147.51 40.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 108.225 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -107.02 14.61 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.997 HG21 ' CB ' ' A' ' 44' ' ' ALA . 79.1 t -109.61 -46.51 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.65 -68.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.152 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.68 61.99 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.844 ' HB2' HG21 ' A' ' 41' ' ' VAL . 9.5 t80 -109.78 89.63 3.07 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.979 -0.611 . . . . 0.0 109.826 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -47.84 117.94 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.841 ' OH ' HD21 ' A' ' 33' ' ' LEU . 48.2 t80 -90.83 102.12 14.88 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.841 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.54 135.29 64.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HG3' ' O ' ' A' ' 2' ' ' ASP . 42.4 Cg_endo -86.76 -26.08 1.03 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.317 3.345 . . . . 0.0 109.604 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.54 -22.9 53.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.39 -44.93 5.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.04 -131.85 11.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.95 87.33 3.04 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 122.089 0.947 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -82.58 63.95 8.11 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.28 3.32 . . . . 0.0 109.628 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -141.44 -51.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.0 t -87.12 -60.36 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.715 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 176.8 57.04 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 23' ' ' GLY . 7.4 mm -137.94 141.04 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.36 147.37 37.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.48 134.49 16.33 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.374 3.383 . . . . 0.0 109.571 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.91 53.32 3.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -128.43 119.5 25.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 0.0 110.419 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -64.6 144.56 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 33.1 t80 -65.64 -10.59 37.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -89.49 8.33 31.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -125.68 12.61 7.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.841 HD21 ' OH ' ' A' ' 13' ' ' TYR . 47.1 mt -76.59 140.61 68.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' LEU . 73.7 Cg_exo -41.64 164.39 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.303 3.336 . . . . 0.0 109.581 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -93.21 23.32 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.15 22.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -78.17 156.7 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 108.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.36 163.68 39.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' ' 43' ' ' GLY . 53.9 t -65.08 114.23 14.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -54.97 -13.42 6.36 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.308 3.338 . . . . 0.0 109.559 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.844 HG21 ' HB2' ' A' ' 11' ' ' TYR . 43.8 t -83.95 -66.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.507 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 9.4 p -96.7 -48.92 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 100.19 49.08 1.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.997 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -86.67 165.28 16.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 47' ' ' ASP . 13.8 m -59.51 138.85 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.942 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -49.59 -22.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 45' ' ' SER . 5.0 t70 -84.57 48.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.34 -45.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 61.0 m-85 -63.03 151.69 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.92 ' OE1' ' OXT' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -158.56 140.19 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 4.5 mtmp? -39.94 104.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.92 ' OXT' ' OE1' ' A' ' 50' ' ' GLU . 1.2 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.5 0.19 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.58 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 2.8 m-20 -120.13 -41.26 2.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.9 mt -46.04 147.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 2' ' ' ASP . 62.1 m-85 -124.82 140.83 52.57 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.829 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.878 HG13 ' O ' ' A' ' 10' ' ' GLY . 99.0 t -124.46 140.06 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.56 147.18 44.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' ALA . 6.9 p -102.39 13.63 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.951 HG21 ' HB2' ' A' ' 44' ' ' ALA . 46.5 t -107.7 -46.94 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -119.01 -68.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 108.279 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.878 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 166.45 -53.71 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.846 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.4 t80 33.36 -147.18 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.977 -0.612 . . . . 0.0 109.815 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 160.04 79.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.449 ' OH ' HD21 ' A' ' 33' ' ' LEU . 66.8 t80 -66.46 122.48 17.64 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.828 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -111.25 103.08 54.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -49.37 -24.05 8.08 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.272 3.315 . . . . 0.0 109.618 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -31.37 59.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -94.91 -49.94 5.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.19 -120.81 5.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.459 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -162.07 82.41 1.76 Allowed Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.096 0.95 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 60.6 Cg_endo -76.13 -163.84 0.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.324 3.349 . . . . 0.0 109.595 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 4.2 m-20 79.17 21.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER 81.68 91.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.57 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 164.06 -57.22 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.57 HD13 ' O ' ' A' ' 23' ' ' GLY . 11.5 mm -131.15 145.44 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.26 150.07 40.83 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.17 114.06 2.16 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.341 3.361 . . . . 0.0 109.595 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.53 60.78 0.98 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -120.62 138.46 53.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -73.4 149.32 42.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -74.52 -0.89 19.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.48 -21.4 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -90.0 -6.64 55.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.449 HD21 ' OH ' ' A' ' 13' ' ' TYR . 29.4 mt -45.94 148.84 1.31 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.561 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 59.2 Cg_exo -47.7 -18.73 1.07 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.328 3.352 . . . . 0.0 109.575 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 4.8 m-20 87.74 -45.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.27 -3.11 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -67.75 140.59 56.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.02 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -145.14 154.24 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 44.2 t -45.62 102.09 0.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.9 Cg_exo -68.69 -3.18 10.71 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.302 3.335 . . . . 0.0 109.6 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.846 HG21 ' CD1' ' A' ' 11' ' ' TYR . 44.7 t -88.47 -68.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.21 -44.22 7.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.279 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.602 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.74 -32.58 2.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.951 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -23.25 131.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -53.53 -171.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -89.59 24.89 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -120.03 -6.0 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.605 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -91.12 22.07 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 54.2 m-85 -121.04 150.82 40.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' LYS . 4.3 tt0 -155.37 133.77 11.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -39.96 102.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.497 0.189 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -175.7 65.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 3.4 mt -107.78 145.93 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 13' ' ' TYR . 61.1 m-85 -131.95 125.78 32.46 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.811 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 12' ' ' GLU . 4.7 p -120.39 147.87 23.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.9 t -76.21 148.93 37.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.282 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -104.43 14.57 29.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.636 HG21 ' HB2' ' A' ' 44' ' ' ALA . 42.6 t -108.5 -45.62 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -116.89 -66.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 108.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.18 62.47 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.985 ' HB2' HG21 ' A' ' 41' ' ' VAL . 45.2 t80 -109.18 95.11 5.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.015 -0.593 . . . . 0.0 109.825 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 5' ' ' VAL . 0.8 OUTLIER -69.0 101.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.556 ' OH ' HD21 ' A' ' 33' ' ' LEU . 83.7 t80 -65.09 121.68 15.28 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.835 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -106.94 106.54 58.48 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.23 -28.77 53.8 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.305 3.336 . . . . 0.0 109.573 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.34 58.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.85 -49.46 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.21 -123.96 6.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.606 ' OD1' HG21 ' A' ' 24' ' ' ILE . 0.7 OUTLIER -158.23 78.7 3.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.084 0.945 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.41 68.34 6.1 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.329 3.352 . . . . 0.0 109.643 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 22' ' ' SER . 5.9 t70 177.98 57.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.5 OUTLIER 165.22 -58.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 167.51 48.36 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.0 mm -136.11 125.01 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.14 144.07 27.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.7 122.21 4.77 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.289 3.326 . . . . 0.0 109.581 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.02 59.78 1.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.7 m -126.92 121.38 31.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 149.8 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' HD12 ' A' ' 33' ' ' LEU . 72.0 t80 -75.65 -6.97 53.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -98.21 -21.95 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -86.87 1.23 53.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.556 HD21 ' OH ' ' A' ' 13' ' ' TYR . 47.1 mt -61.19 143.73 92.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -43.22 166.69 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.334 3.356 . . . . 0.0 109.61 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -98.46 21.06 11.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -145.99 19.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -84.14 142.98 29.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.027 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -148.9 153.36 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.424 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 44.9 t -43.07 100.73 0.23 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 108.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.7 Cg_exo -68.77 -3.44 11.31 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.303 3.335 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.985 HG21 ' HB2' ' A' ' 11' ' ' TYR . 47.9 t -87.02 -66.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.22 -42.68 6.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.26 -32.17 2.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.636 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -27.26 136.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.97 -168.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -89.77 24.74 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.31 -6.46 10.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.604 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -87.76 12.76 12.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -112.69 151.79 29.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 52' ' ' GLN . 7.1 pt-20 -146.0 123.49 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -40.04 100.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.503 0.192 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 57.06 95.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.8 mt -84.81 149.5 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -136.24 127.81 28.76 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.846 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.937 ' CG1' ' OXT' ' A' ' 52' ' ' GLN . 5.1 p -124.85 150.96 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.0 t -75.75 146.83 39.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.246 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 p -101.84 12.09 37.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.354 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.71 HG21 ' HB2' ' A' ' 44' ' ' ALA . 30.7 t -105.42 -45.91 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -116.79 -66.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.12 62.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.917 ' HB2' HG21 ' A' ' 41' ' ' VAL . 43.7 t80 -111.12 97.49 6.84 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.001 -0.599 . . . . 0.0 109.865 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.576 ' N ' HG23 ' A' ' 5' ' ' VAL . 2.6 pt-20 -68.55 109.12 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.268 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.701 ' OH ' HD21 ' A' ' 33' ' ' LEU . 27.9 t80 -83.2 137.26 34.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.849 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.89 140.79 31.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.3 -30.36 0.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.314 3.343 . . . . 0.0 109.616 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.02 -25.54 59.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 -36.06 7.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.31 -138.51 41.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 24' ' ' ILE . 36.2 m-20 -142.15 138.21 16.52 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.051 0.929 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -87.41 -45.19 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.325 3.35 . . . . 0.0 109.613 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' SER . 3.2 m-20 -101.9 99.0 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.5 OUTLIER 159.82 -27.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.953 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.752 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 104.12 51.39 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.6 mm -134.84 140.86 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.14 143.15 26.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.92 130.79 13.3 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 0.0 109.561 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.3 52.23 2.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.5 m -127.4 122.04 32.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 161.94 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.492 ' CD2' ' O ' ' A' ' 30' ' ' PHE . 67.5 t80 -81.74 7.37 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.01 -17.58 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -94.12 3.04 55.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.701 HD21 ' OH ' ' A' ' 13' ' ' TYR . 56.5 mt -64.15 144.05 98.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.29 165.71 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.356 3.37 . . . . 0.0 109.581 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -97.65 20.24 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.82 17.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -83.79 142.09 30.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -146.86 154.27 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.433 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 49.6 t -44.27 101.55 0.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.2 Cg_exo -68.31 -3.06 10.15 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.271 3.314 . . . . 0.0 109.6 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.917 HG21 ' HB2' ' A' ' 11' ' ' TYR . 36.7 t -87.66 -66.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.9 p -101.32 -41.9 6.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.575 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 133.91 -30.31 2.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.71 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.21 135.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -53.86 -170.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -90.39 25.07 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -4.61 9.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.572 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -89.11 14.67 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 56.8 m-85 -113.91 151.38 32.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -161.04 144.19 12.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.91 103.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.937 ' OXT' ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.525 0.202 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.744 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -120.42 -49.69 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.59 147.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 35.4 m-85 -123.47 135.89 54.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.814 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 17.8 t -111.8 137.98 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 18.5 t -76.0 144.21 41.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 108.264 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -101.56 6.77 42.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.995 HG21 ' CB ' ' A' ' 44' ' ' ALA . 95.4 t -99.32 -45.68 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -126.38 -68.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.259 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 170.32 -56.22 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.093 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.529 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.8 t80 33.74 -146.81 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.97 -0.615 . . . . 0.0 109.834 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER 164.17 84.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -74.31 119.26 18.28 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.854 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -110.86 105.17 57.01 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.744 ' HG2' ' O ' ' A' ' 2' ' ' ASP . 82.7 Cg_exo -51.02 -20.01 6.61 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 124.329 3.352 . . . . 0.0 109.628 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -21.75 57.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.5 -43.95 5.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.68 -142.15 15.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD2' ' NE1' ' A' ' 37' ' ' TRP . 0.4 OUTLIER -145.89 87.52 6.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.099 0.952 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.19 155.95 67.54 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.331 3.354 . . . . 0.0 109.558 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.0 t70 45.97 75.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.3 -35.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.602 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 121.39 37.77 0.67 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.602 HD13 ' O ' ' A' ' 23' ' ' GLY . 4.7 mm -135.36 139.01 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -96.86 176.34 2.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 25' ' ' LYS . 8.5 Cg_exo -74.07 138.74 25.94 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.248 3.299 . . . . 0.0 109.609 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.75 46.88 36.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.591 HG21 HG23 ' A' ' 24' ' ' ILE . 91.4 m -104.68 120.2 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.401 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -67.1 150.29 49.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 58.4 t80 -72.42 -3.15 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.86 -18.99 20.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.27 7.99 43.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 60.1 mt -66.08 145.26 99.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 19.2 Cg_endo -59.18 -12.78 17.08 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.29 3.327 . . . . 0.0 109.588 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 16.3 t0 85.0 -50.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.19 -12.44 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.462 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . 92.6 t90 -56.07 153.98 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.014 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.18 156.7 39.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' GLY . 42.3 t -57.66 111.07 2.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.288 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -55.93 -11.62 5.77 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.331 3.354 . . . . 0.0 109.604 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.529 HG21 ' CD1' ' A' ' 11' ' ' TYR . 48.4 t -84.01 -70.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.4 p -94.51 -45.7 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 98.17 48.57 1.86 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.995 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -86.05 156.97 20.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.79 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 47' ' ' ASP . 22.0 p -53.23 135.48 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' CE ' ' HA ' ' A' ' 35' ' ' ASP . 14.2 ttpp -50.35 -21.82 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 45' ' ' SER . 1.1 t70 -86.5 44.82 1.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.37 -44.2 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.373 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 55.5 m-85 -59.14 150.15 26.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -145.02 123.6 12.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.602 ' O ' ' OXT' ' A' ' 52' ' ' GLN . 29.4 mtpt -39.75 106.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.75 ' HG3' ' OXT' ' A' ' 52' ' ' GLN . 24.4 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.537 0.208 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -82.92 56.57 3.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.08 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.442 HG22 ' OXT' ' A' ' 52' ' ' GLN . 19.7 mt -115.44 151.24 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -131.64 134.74 46.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.833 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 12' ' ' GLU . 39.6 t -130.54 148.9 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.4 t -75.63 148.32 38.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.324 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -104.89 14.66 29.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.684 HG21 ' HB2' ' A' ' 44' ' ' ALA . 43.5 t -108.27 -45.91 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -117.73 -66.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.93 61.98 0.05 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 1.008 ' HB2' HG21 ' A' ' 41' ' ' VAL . 59.2 t80 -107.51 105.06 14.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.011 -0.595 . . . . 0.0 109.871 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.63 ' HA ' HG22 ' A' ' 5' ' ' VAL . 2.7 pt-20 -80.99 105.46 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' OH ' HD21 ' A' ' 33' ' ' LEU . 67.3 t80 -77.88 135.02 37.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.803 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.66 141.7 31.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -86.43 -24.79 1.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.325 3.35 . . . . 0.0 109.562 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.43 62.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -99.89 -46.0 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.05 -124.17 6.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.55 75.13 1.82 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.114 0.959 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 27.5 Cg_exo -63.28 178.69 1.08 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.369 3.38 . . . . 0.0 109.599 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER 74.96 -69.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 m -52.09 -72.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 172.58 47.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.1 mm -135.88 139.24 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 145.12 30.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.4 125.43 9.05 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 124.293 3.329 . . . . 0.0 109.606 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.01 59.74 1.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -129.14 122.0 28.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.14 156.17 15.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' O ' HD12 ' A' ' 33' ' ' LEU . 76.4 t80 -78.29 -7.23 56.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.04 -21.03 17.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.35 2.18 53.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.465 HD21 ' OH ' ' A' ' 13' ' ' TYR . 45.2 mt -61.47 145.13 91.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.46 165.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.31 3.34 . . . . 0.0 109.607 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.26 22.58 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -148.81 20.43 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -85.54 143.81 28.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.965 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.06 153.52 36.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.428 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 49.4 t -42.99 100.78 0.23 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.1 Cg_exo -68.36 -2.93 9.95 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.325 3.35 . . . . 0.0 109.619 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.008 HG21 ' HB2' ' A' ' 11' ' ' TYR . 41.0 t -87.61 -66.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.8 p -101.23 -42.17 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.282 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.37 -31.4 2.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.684 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.13 135.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -54.13 -170.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -90.16 25.09 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -119.56 -5.47 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.583 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -90.34 17.13 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 50.4 m-85 -114.89 152.06 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -161.85 145.77 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -40.22 102.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.442 ' OXT' HG22 ' A' ' 3' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.576 ' HB2' HD12 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.541 0.21 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -74.26 60.64 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.576 HD12 ' HB2' ' A' ' 1' ' ' MET . 5.8 mt -110.65 150.4 13.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -136.94 122.63 19.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.824 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 7.6 p -117.53 145.36 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.8 t -75.23 147.71 40.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 p -102.75 14.55 31.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.671 HG21 ' HB2' ' A' ' 44' ' ' ALA . 40.0 t -108.5 -44.79 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -118.03 -66.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 108.251 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.12 62.95 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.908 ' CB ' HG21 ' A' ' 41' ' ' VAL . 18.2 t80 -112.49 88.83 2.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.003 -0.598 . . . . 0.0 109.827 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -56.4 104.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.637 ' OH ' HD21 ' A' ' 33' ' ' LEU . 60.1 t80 -71.79 140.97 49.68 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.863 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.91 141.62 41.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -87.21 -24.48 1.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.308 3.339 . . . . 0.0 109.632 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.25 -28.12 59.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -103.1 -40.72 6.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.88 -130.75 10.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -157.88 83.44 2.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.118 0.961 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.88 51.37 3.59 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.311 3.34 . . . . 0.0 109.616 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -131.82 -53.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 m -82.89 -52.18 6.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.533 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 166.99 42.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.533 HD13 ' O ' ' A' ' 23' ' ' GLY . 27.3 mm -127.06 134.6 65.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -102.55 176.11 1.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 25' ' ' LYS . 13.8 Cg_exo -71.03 133.55 23.46 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.301 3.334 . . . . 0.0 109.56 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.51 49.43 3.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.1 m -125.74 122.99 37.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.76 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -68.54 148.07 51.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -69.67 -5.64 26.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.59 -17.55 17.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -89.44 -1.02 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.637 HD21 ' OH ' ' A' ' 13' ' ' TYR . 50.2 mt -58.76 144.48 80.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 28.0 Cg_endo -62.7 163.13 22.49 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.3 3.333 . . . . 0.0 109.59 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 87.9 m-20 -90.94 88.58 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 3.8 m-20 156.5 -25.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.536 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . 79.2 t90 -48.12 134.19 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 107.968 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -138.47 155.5 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 45.9 t -44.64 101.59 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 12.0 Cg_exo -69.69 -2.41 10.07 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.36 3.373 . . . . 0.0 109.608 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.908 HG21 ' CB ' ' A' ' 11' ' ' TYR . 44.3 t -87.88 -62.19 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.2 p -106.15 -40.66 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.3 -30.2 2.94 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.671 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -27.22 137.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.743 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -62.77 -171.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -90.87 35.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -117.01 -38.58 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -51.94 -62.28 1.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' ALA . 96.0 m-85 -35.73 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 52' ' ' GLN . 10.2 pt-20 -149.12 122.15 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -40.33 98.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' GLU . 6.0 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.552 0.215 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.47 83.45 0.76 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 mt -107.71 150.26 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -120.75 130.04 53.87 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.781 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.55 HG23 ' HG2' ' A' ' 52' ' ' GLN . 23.9 t -114.88 134.4 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.3 t -69.85 149.0 48.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.516 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 16.5 p -104.33 21.33 16.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.716 HG21 ' HB2' ' A' ' 44' ' ' ALA . 89.6 t -117.86 -47.05 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.27 -68.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 108.266 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 168.0 -54.2 0.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.885 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 34.63 -150.3 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.0 -0.6 . . . . 0.0 109.84 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 162.56 78.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.62 ' OH ' HD21 ' A' ' 33' ' ' LEU . 72.4 t80 -69.01 143.84 54.25 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.838 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -135.75 138.17 27.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.23 -38.26 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.334 3.356 . . . . 0.0 109.552 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.1 -26.97 63.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.87 -49.3 4.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 72.96 -153.48 48.61 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -133.51 77.4 65.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.086 0.946 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -70.78 54.96 1.64 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.299 3.333 . . . . 0.0 109.615 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -124.21 53.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 m 50.0 60.0 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.72 ' O ' HD13 ' A' ' 24' ' ' ILE . . . -174.94 -38.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.72 HD13 ' O ' ' A' ' 23' ' ' GLY . 13.5 mm -131.98 139.69 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.12 150.74 38.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -58.17 119.54 6.86 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.331 3.354 . . . . 0.0 109.572 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.43 59.61 1.08 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.5 m -125.75 132.49 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -71.71 157.75 37.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -78.69 3.5 16.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -109.01 -29.97 8.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -78.74 -3.7 45.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.62 HD21 ' OH ' ' A' ' 13' ' ' TYR . 58.0 mt -47.83 146.75 3.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.552 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 20.3 Cg_exo -32.6 -70.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.324 3.349 . . . . 0.0 109.591 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 3.7 m-20 151.97 -49.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.11 23.74 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -79.19 139.05 38.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 108.01 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -145.14 155.17 43.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 49.9 t -44.89 101.67 0.27 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.28 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -67.92 -2.3 8.45 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.324 3.349 . . . . 0.0 109.623 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.885 HG21 ' CD1' ' A' ' 11' ' ' TYR . 31.0 t -88.55 -65.12 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.44 ' SG ' HG11 ' A' ' 8' ' ' VAL . 26.3 p -104.08 -37.21 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.41 -28.48 3.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -20.58 127.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -55.1 -172.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HE2' HD12 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -92.4 34.23 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.52 -42.95 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.516 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -41.91 -65.24 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' ALA . 87.6 m-85 -35.24 149.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' GLN . 9.1 pt-20 -148.22 122.6 9.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.44 98.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.662 ' OXT' ' CG ' ' A' ' 52' ' ' GLN . 1.2 pp0? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 122.139 0.971 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -137.19 126.35 24.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.836 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.576 HG23 ' N ' ' A' ' 12' ' ' GLU . 5.8 p -123.45 148.26 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -79.5 139.81 37.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.274 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.503 HG21 ' OE2' ' A' ' 50' ' ' GLU . 3.1 p -94.04 -3.11 51.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.735 HG21 ' HB2' ' A' ' 44' ' ' ALA . 20.0 t -85.81 -45.44 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -117.27 -63.6 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.94 61.26 0.2 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.952 ' CB ' HG21 ' A' ' 41' ' ' VAL . 4.8 t80 -118.26 95.7 5.0 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.02 -0.59 . . . . 0.0 109.843 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.576 ' N ' HG23 ' A' ' 5' ' ' VAL . 9.1 pt-20 -55.55 117.84 3.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.822 ' OH ' HD21 ' A' ' 33' ' ' LEU . 25.0 t80 -57.92 -45.87 85.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.855 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 17' ' ' LYS . 63.8 m-20 50.22 99.85 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.4 -33.14 36.52 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.289 3.326 . . . . 0.0 109.649 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.03 -21.01 57.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HB2' ' CB ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -87.99 -32.11 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.62 -135.49 4.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 122.081 0.943 . . . . 0.0 109.333 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.489 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 23' ' ' GLY . 11.7 mm -130.25 140.26 49.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.22 150.33 40.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.68 105.2 0.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.296 3.331 . . . . 0.0 109.59 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.24 65.13 0.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.443 1.089 . . . . 0.0 111.002 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.5 m -121.55 137.17 54.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.14 139.5 56.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -71.26 -4.62 26.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.12 -23.1 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -86.76 -2.61 58.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.822 HD21 ' OH ' ' A' ' 13' ' ' TYR . 72.5 mt -58.45 146.96 70.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' LEU . 87.2 Cg_exo -42.31 165.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.323 3.349 . . . . 0.0 109.621 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -98.48 20.49 12.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -144.87 18.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.373 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -82.97 145.81 29.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 107.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 40' ' ' PRO . . . -152.82 153.41 33.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.407 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 47.4 t -42.2 100.31 0.22 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ALA . 15.0 Cg_exo -67.94 -4.87 13.24 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.3 3.333 . . . . 0.0 109.595 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.952 HG21 ' CB ' ' A' ' 11' ' ' TYR . 61.6 t -85.54 -66.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -100.19 -45.5 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.584 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 137.66 -32.58 2.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.735 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -24.68 133.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -90.53 38.65 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.34 9.57 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.64 -23.14 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -70.5 151.38 45.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.503 ' OE2' HG21 ' A' ' 7' ' ' THR . 5.7 pt-20 -143.89 124.15 13.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -42.62 100.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 122.104 0.954 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 51' ' ' LYS . 64.2 m-85 -132.87 122.91 25.08 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.754 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 9.7 p -117.86 147.54 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.1 t -75.14 148.07 39.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.402 HG21 ' OE2' ' A' ' 50' ' ' GLU . 6.1 p -103.52 16.75 25.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.608 HG21 ' HB2' ' A' ' 44' ' ' ALA . 48.2 t -111.47 -45.14 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.2 -68.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.8 62.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.916 ' HB2' HG21 ' A' ' 41' ' ' VAL . 43.3 t80 -102.55 98.89 8.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.961 -0.62 . . . . 0.0 109.807 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 95.07 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.706 ' OH ' HD21 ' A' ' 33' ' ' LEU . 67.5 t80 -73.26 141.69 47.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -128.54 141.74 42.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.45 -36.9 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.335 3.356 . . . . 0.0 109.575 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.41 -23.71 58.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.14 -50.96 4.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.22 -146.89 28.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 122.063 0.935 . . . . 0.0 109.319 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.564 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.564 HD13 ' O ' ' A' ' 23' ' ' GLY . 24.5 mm -128.89 138.05 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -95.03 155.5 38.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -63.41 134.8 46.61 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.301 3.334 . . . . 0.0 109.571 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.07 44.29 6.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.9 m -113.53 121.84 45.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.416 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -56.94 150.76 16.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -76.42 -3.35 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -101.47 -21.49 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.5 0.44 55.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.706 HD21 ' OH ' ' A' ' 13' ' ' TYR . 46.0 mt -58.59 145.35 77.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.3 165.27 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.314 3.343 . . . . 0.0 109.583 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -98.35 22.51 9.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.8 20.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -85.59 144.98 27.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 108.022 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -151.61 153.11 33.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.441 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 48.8 t -42.98 100.68 0.23 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.3 Cg_exo -69.05 -2.36 9.52 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.31 3.34 . . . . 0.0 109.569 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.916 HG21 ' HB2' ' A' ' 11' ' ' TYR . 44.7 t -87.74 -62.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -106.77 -39.17 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 108.251 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 133.42 -29.83 3.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.608 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.11 135.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -60.28 -171.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -91.08 36.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -117.6 -49.87 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -40.26 -60.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ALA . 85.3 m-85 -36.07 149.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.4 pt-20 -149.58 122.01 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -44.63 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 122.068 0.937 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' A' ' 30' ' ' PHE . 37.7 m-85 -119.67 128.86 54.22 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.87 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 10' ' ' GLY . 39.0 t -118.87 135.73 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.3 t -71.01 148.84 47.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 108.333 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.412 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 12.4 p -105.02 20.49 18.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.771 HG21 ' HB2' ' A' ' 44' ' ' ALA . 79.0 t -116.01 -46.56 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.17 -67.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 108.326 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.595 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 166.92 -56.33 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.9 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.0 t80 35.29 -151.26 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.972 -0.614 . . . . 0.0 109.851 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 1.5 pt-20 163.58 82.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.724 ' OH ' HD21 ' A' ' 33' ' ' LEU . 75.9 t80 -77.71 145.18 36.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.804 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' GLY . 7.0 m-20 -140.99 139.61 19.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -80.94 -17.33 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.351 3.367 . . . . 0.0 109.563 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.32 -41.53 56.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.74 -36.48 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.88 -139.71 23.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 122.057 0.932 . . . . 0.0 109.295 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.469 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.469 HD13 ' O ' ' A' ' 23' ' ' GLY . 18.9 mm -125.76 145.15 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 153.02 40.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.22 132.68 39.94 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.338 3.359 . . . . 0.0 109.564 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.62 48.6 4.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.4 m -116.88 122.9 45.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 161.72 12.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.454 ' CD2' ' CE2' ' A' ' 4' ' ' TYR . 76.4 t80 -84.81 4.07 34.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -6.4 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -104.45 -8.71 18.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.724 HD21 ' OH ' ' A' ' 13' ' ' TYR . 62.7 mt -49.85 146.72 7.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 33' ' ' LEU . 78.9 Cg_exo -41.11 163.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.311 3.34 . . . . 0.0 109.608 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.04 23.91 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -151.7 22.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -87.29 145.21 26.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -153.28 152.45 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' GLY . 48.8 t -43.32 100.81 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 15.9 Cg_exo -67.44 -2.02 7.55 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.343 3.362 . . . . 0.0 109.559 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.9 HG21 ' CD1' ' A' ' 11' ' ' TYR . 32.9 t -89.16 -64.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.301 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.8 p -103.22 -38.12 7.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.47 -29.42 3.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.771 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -23.55 131.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 30' ' ' PHE . 15.1 ttpp -92.28 30.92 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.01 -43.9 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.412 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -43.86 -62.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' ALA . 84.3 m-85 -36.53 149.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.3 pt-20 -149.09 122.31 8.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLU . 18.4 ttpt -40.2 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.419 ' CG1' ' OD1' ' A' ' 14' ' ' ASP . 3.1 mp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 122.103 0.954 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -118.5 124.28 47.18 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.814 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 10' ' ' GLY . 13.1 t -110.69 136.44 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 43.7 t -71.13 149.23 46.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 108.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.47 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 16.7 p -104.7 21.35 17.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.392 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.874 HG21 ' HB2' ' A' ' 44' ' ' ALA . 87.8 t -117.83 -47.18 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -120.32 -68.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.486 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 168.26 -54.68 0.22 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.9 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 34.68 -150.18 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.964 -0.618 . . . . 0.0 109.841 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 163.08 80.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.341 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.612 ' OH ' HD21 ' A' ' 33' ' ' LEU . 75.6 t80 -72.16 144.96 48.39 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.832 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' OD1' ' CG1' ' A' ' 3' ' ' ILE . 2.3 m-20 -137.23 137.24 22.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -82.72 -39.36 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.303 3.335 . . . . 0.0 109.606 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.05 -26.49 63.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -97.15 -52.16 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.39 -155.01 39.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 122.086 0.946 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.542 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.542 HD13 ' O ' ' A' ' 23' ' ' GLY . 25.1 mm -126.59 145.4 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.54 150.18 37.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.43 123.49 13.49 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.6 57.13 1.56 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 m -123.88 132.19 53.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -72.34 153.16 41.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -75.27 -0.28 19.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.45 -19.41 13.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -90.53 -1.03 57.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.612 HD21 ' OH ' ' A' ' 13' ' ' TYR . 50.0 mt -49.82 146.48 7.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 30.7 Cg_exo -31.87 -70.82 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.35 3.367 . . . . 0.0 109.572 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 2.6 m-20 151.8 -49.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.44 21.43 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.47 ' HB3' ' CE ' ' A' ' 46' ' ' LYS . 75.2 t90 -78.86 138.79 38.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -145.32 154.31 42.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' GLY . 49.5 t -44.43 101.34 0.25 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 108.266 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.9 Cg_exo -68.06 -2.72 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.358 3.372 . . . . 0.0 109.581 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.9 HG21 ' CD1' ' A' ' 11' ' ' TYR . 35.0 t -87.95 -62.93 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' HG11 ' A' ' 8' ' ' VAL . 27.3 p -105.18 -40.02 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.619 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 132.66 -30.52 3.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.874 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -21.64 128.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.78 -171.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' CE ' ' HB3' ' A' ' 37' ' ' TRP . 11.6 ttmt -92.83 30.34 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -116.66 -39.05 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.47 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -45.18 -65.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ALA . 91.6 m-85 -35.78 149.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.6 pt-20 -148.3 122.39 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -40.51 98.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 6.0 mt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 122.099 0.952 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 34.4 m-85 -132.5 139.75 48.06 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.833 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.0 p -128.52 141.49 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.08 148.33 39.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.275 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' ALA . 7.3 p -103.56 15.23 29.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 44' ' ' ALA . 40.2 t -109.54 -45.18 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.93 -68.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.281 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.2 62.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.889 ' HB2' HG21 ' A' ' 41' ' ' VAL . 45.8 t80 -101.01 100.77 11.42 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.026 -0.587 . . . . 0.0 109.878 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.31 89.17 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.794 ' OH ' HD21 ' A' ' 33' ' ' LEU . 72.8 t80 -69.29 144.19 53.64 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.832 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.28 140.5 38.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -83.46 -23.56 3.35 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.271 3.314 . . . . 0.0 109.56 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.18 -31.99 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 -40.86 7.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.2 -127.47 8.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 122.061 0.934 . . . . 0.0 109.294 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.814 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.814 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.5 mm -137.04 131.72 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -106.76 146.75 33.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.93 135.96 13.8 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.357 3.371 . . . . 0.0 109.573 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.37 48.49 4.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.6 m -124.85 121.47 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.04 148.91 42.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -72.71 -2.77 21.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.14 -22.74 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.14 0.54 53.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.794 HD21 ' OH ' ' A' ' 13' ' ' TYR . 46.8 mt -59.87 144.55 85.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.162 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -43.36 167.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.355 3.37 . . . . 0.0 109.571 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -98.84 21.25 11.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -145.87 18.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -85.43 142.36 29.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 40' ' ' PRO . . . -149.1 154.05 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' GLY . 50.1 t -42.67 100.52 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' ALA . 13.5 Cg_exo -68.7 -2.77 9.96 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.34 3.36 . . . . 0.0 109.612 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.889 HG21 ' HB2' ' A' ' 11' ' ' TYR . 43.6 t -87.13 -61.31 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.9 p -106.58 -40.91 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.574 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 132.43 -30.51 3.14 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.79 136.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.43 -170.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -90.96 25.98 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -119.87 -5.42 10.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.467 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -90.73 17.39 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 53.9 m-85 -115.08 150.67 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -148.97 122.74 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -40.38 105.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 122.073 0.939 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -109.16 135.26 50.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.867 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 40.0 t -116.36 132.31 66.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.459 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 48.6 t -68.64 150.55 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.596 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 7.8 p -106.0 20.33 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.097 HG21 ' HB2' ' A' ' 44' ' ' ALA . 83.3 t -117.54 -48.53 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.15 -69.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 168.81 -55.42 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.928 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 35.33 -151.3 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.009 -0.596 . . . . 0.0 109.811 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 163.39 79.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.41 ' OH ' HD21 ' A' ' 33' ' ' LEU . 64.1 t80 -64.33 119.07 9.64 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.863 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -111.73 102.24 53.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.29 -18.01 17.35 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.322 3.348 . . . . 0.0 109.62 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.95 -32.81 65.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -41.87 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.57 -120.98 6.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 122.048 0.928 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.637 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.637 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.4 mm -134.02 145.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -96.62 150.6 37.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -59.09 115.5 2.6 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.316 3.344 . . . . 0.0 109.584 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.9 61.16 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.2 m -123.26 133.31 54.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.34 164.6 26.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -84.43 1.15 46.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -108.57 -7.23 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.52 1.91 27.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' HB2' ' NZ ' ' A' ' 46' ' ' LYS . 51.7 mt -54.72 146.55 35.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 13.1 Cg_exo -33.49 -70.13 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.333 3.355 . . . . 0.0 109.547 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 150.7 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.92 22.28 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -78.3 143.72 36.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.41 152.09 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -44.3 101.38 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.7 Cg_exo -68.23 -3.91 11.71 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.337 3.358 . . . . 0.0 109.559 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.928 HG21 ' CD1' ' A' ' 11' ' ' TYR . 47.8 t -87.35 -67.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.507 ' SG ' HG11 ' A' ' 8' ' ' VAL . 29.2 p -96.82 -45.82 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.614 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.57 -33.15 2.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.097 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -21.12 128.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -52.51 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 33' ' ' LEU . 11.1 ttpt -92.34 30.55 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -130.95 33.87 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.596 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -124.09 -42.19 2.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 71.9 m-85 -55.17 150.44 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -145.73 123.6 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -47.03 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 3' ' ' ILE . 2.7 mm . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 122.107 0.956 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 13' ' ' TYR . 55.2 m-85 -130.78 139.04 50.19 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.842 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 p -132.59 147.09 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.3 t -77.82 148.56 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -103.27 13.33 34.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.707 HG21 ' HB2' ' A' ' 44' ' ' ALA . 51.3 t -107.66 -45.96 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -117.83 -67.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.25 62.9 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.138 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.883 ' CB ' HG21 ' A' ' 41' ' ' VAL . 13.8 t80 -111.67 89.6 3.1 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.875 -0.584 . . . . 0.0 109.81 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 109.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.744 ' OH ' HD21 ' A' ' 33' ' ' LEU . 37.1 t80 -84.83 115.88 22.98 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.82 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -94.66 139.82 22.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -86.97 -29.36 0.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.313 3.342 . . . . 0.0 109.608 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.88 -22.74 58.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.35 -49.96 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.67 -130.88 11.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 CA-C-O 122.012 0.911 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.0 mm -121.53 143.95 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -90.43 157.67 44.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.62 135.72 36.88 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.294 3.329 . . . . 0.0 109.619 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.26 40.18 9.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 m -109.94 121.97 46.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -60.24 154.87 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 30' ' ' PHE . 73.2 t80 -80.17 4.01 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -106.81 -16.69 14.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -95.67 3.77 53.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.744 HD21 ' OH ' ' A' ' 13' ' ' TYR . 47.9 mt -62.62 145.16 95.53 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -43.6 165.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.252 3.301 . . . . 0.0 109.598 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -98.03 20.83 11.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -144.25 17.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -84.13 145.63 28.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -151.5 150.82 30.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLY . 45.2 t -43.62 100.86 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.421 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.0 Cg_exo -68.53 -4.09 12.36 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.332 3.355 . . . . 0.0 109.619 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.883 HG21 ' CB ' ' A' ' 11' ' ' TYR . 52.3 t -86.25 -61.59 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.36 -43.07 5.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 108.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.12 -31.79 2.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.707 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -25.56 134.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.3 p -60.4 -173.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -90.54 38.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.24 19.5 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.97 -29.98 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -66.37 151.55 46.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -145.72 123.76 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 108.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.405 HG23 ' OD1' ' A' ' 14' ' ' ASP . 2.5 mp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 122.127 0.965 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -116.36 124.0 49.0 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.818 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 51' ' ' LYS . 9.7 p -99.2 130.2 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 37.1 t -65.35 148.44 51.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.432 HG22 ' HB1' ' A' ' 48' ' ' ALA . 8.0 t -111.7 19.68 17.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.054 HG21 ' CB ' ' A' ' 44' ' ' ALA . 74.9 t -114.48 -46.82 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -126.28 -65.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 171.64 -62.71 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CD1' HG21 ' A' ' 41' ' ' VAL . 3.1 t80 34.97 -150.79 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.027 -0.586 . . . . 0.0 109.817 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 169.19 89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -80.94 121.71 26.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' LYS . 1.4 m-20 -120.72 111.49 34.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -49.15 -21.41 4.22 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.264 3.309 . . . . 0.0 109.659 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.79 -30.78 61.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -93.71 -46.32 7.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.34 -140.52 19.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 122.11 0.957 . . . . 0.0 109.321 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 23' ' ' GLY . 9.7 mm -136.48 141.84 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -103.62 145.42 30.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 74.6 Cg_exo -45.99 121.97 4.82 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.316 3.344 . . . . 0.0 109.581 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.04 65.68 1.22 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.5 m -130.83 121.29 25.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.351 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 151.84 38.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.468 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 65.6 t80 -76.21 0.62 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -102.52 -11.65 18.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -102.22 8.03 40.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' PRO . 68.8 mt -62.91 143.66 97.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 81.0 Cg_exo -33.83 -69.48 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.324 3.349 . . . . 0.0 109.591 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 5.4 m-20 153.65 -47.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -97.34 28.74 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.407 ' CZ3' ' CE2' ' A' ' 49' ' ' PHE . 88.3 t90 -73.62 151.77 40.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 107.937 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.42 167.65 25.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.8 t -71.0 115.18 33.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 108.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -55.83 -10.85 4.43 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.296 3.331 . . . . 0.0 109.62 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.517 HG21 ' CD1' ' A' ' 11' ' ' TYR . 39.5 t -87.56 -68.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 8.4 p -93.36 -47.07 7.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 97.08 49.9 1.83 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.054 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -89.77 152.02 21.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.73 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -52.44 139.35 25.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -44.66 -26.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 45' ' ' SER . 54.2 m-20 -57.2 -40.02 76.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' SER . . . -39.26 -84.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 96.0 m-85 -33.93 131.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -147.84 72.73 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.597 ' O ' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER 61.23 147.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.551 ' HA ' HG12 ' A' ' 5' ' ' VAL . 2.0 pt20 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 122.122 0.963 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 30' ' ' PHE . 25.7 m-85 -117.95 142.36 47.43 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.787 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.25 127.25 75.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 20.7 t -69.33 146.82 51.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -109.59 14.05 23.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 110.4 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.98 HG21 ' CB ' ' A' ' 44' ' ' ALA . 84.3 t -107.61 -47.88 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -123.65 -65.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 108.288 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.8 61.41 0.1 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.816 ' HB2' HG21 ' A' ' 41' ' ' VAL . 7.6 t80 -114.95 91.44 3.62 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.825 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.09 117.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.572 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 43.9 t80 -83.43 67.32 9.28 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.835 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -56.32 111.21 2.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.41 -21.6 14.17 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.336 3.358 . . . . 0.0 109.606 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.53 -24.26 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -94.41 -17.68 22.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.28 -127.57 4.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 122.063 0.935 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.523 HD13 ' O ' ' A' ' 23' ' ' GLY . 6.5 mm -134.18 143.87 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -114.91 145.39 33.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.33 132.79 15.64 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.296 3.331 . . . . 0.0 109.587 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.2 48.96 3.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.4 m -125.52 119.09 27.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -61.9 149.87 39.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 30' ' ' PHE . 22.8 t80 -73.23 -8.14 54.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -92.93 -12.08 31.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -101.76 9.53 40.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.547 HD21 ' OH ' ' A' ' 13' ' ' TYR . 71.5 mt -67.39 144.29 97.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 77.6 Cg_exo -38.19 -69.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.301 3.334 . . . . 0.0 109.628 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 153.75 -46.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -92.47 25.32 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.421 ' CZ3' ' CE1' ' A' ' 49' ' ' PHE . 90.1 t90 -68.65 160.73 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.75 161.13 41.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.7 t -65.4 114.5 15.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -54.74 -12.58 4.73 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.294 3.329 . . . . 0.0 109.565 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.816 HG21 ' HB2' ' A' ' 11' ' ' TYR . 44.2 t -85.6 -67.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.505 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 9.7 p -93.76 -47.69 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.347 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 98.35 47.42 2.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.98 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -86.66 163.68 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -57.52 139.77 52.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -51.01 -21.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -85.64 47.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.09 -44.65 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 61.6 m-85 -63.65 151.77 40.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -143.31 124.55 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.904 ' O ' ' OXT' ' A' ' 52' ' ' GLN . 4.2 ttpm? -43.62 101.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.904 ' OXT' ' O ' ' A' ' 51' ' ' LYS . 16.3 pt20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 122.081 0.943 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 31.6 m-85 -114.35 131.13 56.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.776 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' GLY . 39.2 t -117.05 133.89 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.63 148.29 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 p -105.38 20.84 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.804 HG21 ' HB2' ' A' ' 44' ' ' ALA . 90.6 t -116.08 -46.99 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.32 -68.01 0.94 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 166.68 -54.03 0.24 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.913 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.2 t80 33.87 -148.08 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.014 -0.593 . . . . 0.0 109.799 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 159.61 84.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.706 ' OH ' HD21 ' A' ' 33' ' ' LEU . 64.4 t80 -70.18 118.69 13.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.787 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.45 102.67 53.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.33 -17.01 14.75 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.334 3.356 . . . . 0.0 109.582 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.7 -41.7 52.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.96 -45.66 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.2 -140.28 20.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.471 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 CA-C-O 122.073 0.939 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.75 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.75 HD13 ' O ' ' A' ' 23' ' ' GLY . 9.3 mm -134.17 145.08 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.96 152.27 38.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -58.66 123.9 14.58 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.368 3.379 . . . . 0.0 109.581 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.12 57.04 1.52 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -122.2 139.99 53.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.359 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 175.14 10.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -93.26 -10.54 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -10.98 26.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -98.47 -12.38 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.706 HD21 ' OH ' ' A' ' 13' ' ' TYR . 56.4 mt -51.51 146.42 12.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' LEU . 95.5 Cg_exo -42.07 165.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.318 3.345 . . . . 0.0 109.571 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.05 22.56 9.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.7 20.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -86.89 145.86 26.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 108.026 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -153.74 152.41 30.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 43' ' ' GLY . 48.3 t -43.68 100.92 0.24 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 15.9 Cg_exo -67.4 -2.3 8.0 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.308 3.339 . . . . 0.0 109.62 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.913 HG21 ' CD1' ' A' ' 11' ' ' TYR . 34.9 t -88.92 -64.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.409 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 26.6 p -103.4 -38.51 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.603 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.46 -29.13 3.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.804 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -23.05 131.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.361 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.9 p -56.91 -171.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -92.15 29.67 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -115.73 -44.25 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -41.06 -64.46 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' ALA . 88.4 m-85 -36.24 149.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.9 pt-20 -148.89 123.19 9.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 2.8 mtpm? -40.25 99.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.502 ' OXT' ' OE1' ' A' ' 52' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.228 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.0 mt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 122.116 0.96 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -114.18 141.67 47.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.85 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.855 HG23 ' OXT' ' A' ' 52' ' ' GLN . 61.6 t -129.06 138.83 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 45.0 t -72.04 150.87 43.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.428 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 6.9 p -105.94 18.47 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.902 HG21 ' HB2' ' A' ' 44' ' ' ALA . 60.4 t -114.92 -47.48 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.15 -68.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.672 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 168.42 -59.13 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.94 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 37.02 -155.28 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.034 -0.583 . . . . 0.0 109.817 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 169.59 87.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.656 ' OH ' HD21 ' A' ' 33' ' ' LEU . 74.9 t80 -82.54 145.69 29.61 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.811 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' GLY . 4.1 m-20 -136.99 140.93 32.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -84.14 -17.71 5.51 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.273 3.315 . . . . 0.0 109.588 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.47 -40.76 49.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 -34.74 9.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 77.41 -136.53 18.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 122.066 0.936 . . . . 0.0 109.307 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.639 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 23' ' ' GLY . 11.1 mm -133.89 144.54 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.0 156.35 38.02 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -64.39 137.08 53.89 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.296 3.331 . . . . 0.0 109.598 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.15 42.27 9.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.4 m -109.79 120.91 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.366 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -63.81 147.53 51.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -68.64 -17.82 64.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -7.83 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -100.51 -10.91 20.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.656 HD21 ' OH ' ' A' ' 13' ' ' TYR . 51.7 mt -50.23 147.6 7.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 33' ' ' LEU . 91.6 Cg_exo -41.78 164.64 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.288 3.326 . . . . 0.0 109.603 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -98.63 21.87 10.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -145.7 18.35 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -84.8 149.46 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -157.1 149.72 23.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 42.1 t -43.78 101.02 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 108.345 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 15.6 Cg_exo -67.68 -3.02 9.51 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.367 3.378 . . . . 0.0 109.59 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.94 HG21 ' CD1' ' A' ' 11' ' ' TYR . 47.2 t -88.57 -67.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.48 -42.73 7.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.71 -30.86 3.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.902 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -25.28 135.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.3 p -60.88 -172.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -91.85 31.02 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.74 34.86 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.428 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -128.87 -44.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 69.1 m-85 -52.78 151.66 4.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -160.62 140.26 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.415 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -40.23 102.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.855 ' OXT' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 122.103 0.954 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -140.33 126.8 20.13 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.812 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 12' ' ' GLU . 3.2 t -123.05 150.07 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.6 t -73.05 150.17 42.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.297 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.983 HG22 ' O ' ' A' ' 48' ' ' ALA . 9.9 t -111.4 17.89 19.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.553 HG23 ' HB1' ' A' ' 48' ' ' ALA . 42.6 t -111.06 -46.21 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.47 -63.06 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.1 62.61 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.991 ' HB2' HG21 ' A' ' 41' ' ' VAL . 71.0 t80 -114.46 113.11 24.04 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.824 -0.608 . . . . 0.0 109.865 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.51 ' N ' HG13 ' A' ' 5' ' ' VAL . 12.1 pt-20 -87.47 114.45 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.646 ' OH ' HD21 ' A' ' 33' ' ' LEU . 67.6 t80 -84.5 140.46 31.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.827 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.17 142.2 37.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -85.67 -23.6 2.12 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.291 3.327 . . . . 0.0 109.556 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.38 -39.63 38.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 -42.88 9.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.8 -126.5 7.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.082 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 122.08 0.943 . . . . 0.0 109.33 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.745 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 23' ' ' GLY . 7.1 mm -137.24 141.68 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 143.91 29.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.93 133.08 14.35 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.334 3.356 . . . . 0.0 109.608 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.47 50.98 3.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 m -127.56 120.62 28.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -57.15 159.74 4.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -82.95 -4.05 57.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -100.43 -23.05 14.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.79 -0.04 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.646 HD21 ' OH ' ' A' ' 13' ' ' TYR . 46.8 mt -59.43 145.49 81.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -43.47 167.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.305 3.337 . . . . 0.0 109.597 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -100.22 21.41 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -145.9 19.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -83.91 145.26 28.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 107.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.86 153.37 35.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.42 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 45.9 t -43.18 100.99 0.23 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.405 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.2 Cg_exo -68.92 -2.37 9.44 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.28 3.32 . . . . 0.0 109.612 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.991 HG21 ' HB2' ' A' ' 11' ' ' TYR . 45.7 t -88.67 -68.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.7 p -99.27 -43.09 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.73 -31.95 2.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB1' ' CB ' ' A' ' 48' ' ' ALA . . . -26.77 136.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -89.03 22.96 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.72 -7.65 10.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.983 ' O ' HG22 ' A' ' 7' ' ' THR . . . -80.18 -2.8 46.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -98.81 133.59 42.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.0 pt-20 -128.54 127.33 42.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -38.5 98.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 122.1 0.952 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 30' ' ' PHE . 61.4 m-85 -122.47 140.74 52.4 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.813 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 63.4 t -124.55 138.46 53.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 27.3 t -75.12 147.51 40.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 108.225 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -107.02 14.61 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.997 HG21 ' CB ' ' A' ' 44' ' ' ALA . 79.1 t -109.61 -46.51 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.65 -68.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.152 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.68 61.99 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.844 ' HB2' HG21 ' A' ' 41' ' ' VAL . 9.5 t80 -109.78 89.63 3.07 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.979 -0.611 . . . . 0.0 109.826 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -47.84 117.94 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.841 ' OH ' HD21 ' A' ' 33' ' ' LEU . 48.2 t80 -90.83 102.12 14.88 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.841 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.54 135.29 64.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -86.76 -26.08 1.03 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.317 3.345 . . . . 0.0 109.604 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.54 -22.9 53.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.39 -44.93 5.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.04 -131.85 11.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 122.089 0.947 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.715 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 23' ' ' GLY . 7.4 mm -137.94 141.04 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.36 147.37 37.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.48 134.49 16.33 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.374 3.383 . . . . 0.0 109.571 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.91 53.32 3.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -128.43 119.5 25.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 0.0 110.419 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -64.6 144.56 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 33.1 t80 -65.64 -10.59 37.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -89.49 8.33 31.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -125.68 12.61 7.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.841 HD21 ' OH ' ' A' ' 13' ' ' TYR . 47.1 mt -76.59 140.61 68.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' LEU . 73.7 Cg_exo -41.64 164.39 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.303 3.336 . . . . 0.0 109.581 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -93.21 23.32 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.15 22.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -78.17 156.7 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 108.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.36 163.68 39.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' ' 43' ' ' GLY . 53.9 t -65.08 114.23 14.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -54.97 -13.42 6.36 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.308 3.338 . . . . 0.0 109.559 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.844 HG21 ' HB2' ' A' ' 11' ' ' TYR . 43.8 t -83.95 -66.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.507 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 9.4 p -96.7 -48.92 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 100.19 49.08 1.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.997 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -86.67 165.28 16.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 47' ' ' ASP . 13.8 m -59.51 138.85 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.942 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -49.59 -22.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 45' ' ' SER . 5.0 t70 -84.57 48.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.34 -45.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 61.0 m-85 -63.03 151.69 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.92 ' OE1' ' OXT' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -158.56 140.19 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 4.5 mtmp? -39.94 104.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.92 ' OXT' ' OE1' ' A' ' 50' ' ' GLU . 1.2 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 122.123 0.963 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -124.82 140.83 52.57 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.829 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.878 HG13 ' O ' ' A' ' 10' ' ' GLY . 99.0 t -124.46 140.06 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.56 147.18 44.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' ALA . 6.9 p -102.39 13.63 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.951 HG21 ' HB2' ' A' ' 44' ' ' ALA . 46.5 t -107.7 -46.94 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -119.01 -68.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 108.279 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.878 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 166.45 -53.71 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.846 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.4 t80 33.36 -147.18 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.977 -0.612 . . . . 0.0 109.815 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 160.04 79.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.449 ' OH ' HD21 ' A' ' 33' ' ' LEU . 66.8 t80 -66.46 122.48 17.64 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.828 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -111.25 103.08 54.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -49.37 -24.05 8.08 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.272 3.315 . . . . 0.0 109.618 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -31.37 59.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -94.91 -49.94 5.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.19 -120.81 5.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.459 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 122.096 0.95 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.57 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.57 HD13 ' O ' ' A' ' 23' ' ' GLY . 11.5 mm -131.15 145.44 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.26 150.07 40.83 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.17 114.06 2.16 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.341 3.361 . . . . 0.0 109.595 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.53 60.78 0.98 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -120.62 138.46 53.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -73.4 149.32 42.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -74.52 -0.89 19.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.48 -21.4 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -90.0 -6.64 55.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.449 HD21 ' OH ' ' A' ' 13' ' ' TYR . 29.4 mt -45.94 148.84 1.31 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.561 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 59.2 Cg_exo -47.7 -18.73 1.07 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.328 3.352 . . . . 0.0 109.575 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 4.8 m-20 87.74 -45.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.27 -3.11 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -67.75 140.59 56.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.02 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -145.14 154.24 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 44.2 t -45.62 102.09 0.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.9 Cg_exo -68.69 -3.18 10.71 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.302 3.335 . . . . 0.0 109.6 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.846 HG21 ' CD1' ' A' ' 11' ' ' TYR . 44.7 t -88.47 -68.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.21 -44.22 7.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.279 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.602 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.74 -32.58 2.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.951 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -23.25 131.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -53.53 -171.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -89.59 24.89 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -120.03 -6.0 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.605 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -91.12 22.07 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 54.2 m-85 -121.04 150.82 40.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' LYS . 4.3 tt0 -155.37 133.77 11.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -39.96 102.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 3.4 mt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 122.121 0.963 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 13' ' ' TYR . 61.1 m-85 -131.95 125.78 32.46 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.811 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 12' ' ' GLU . 4.7 p -120.39 147.87 23.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.9 t -76.21 148.93 37.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.282 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -104.43 14.57 29.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.636 HG21 ' HB2' ' A' ' 44' ' ' ALA . 42.6 t -108.5 -45.62 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -116.89 -66.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 108.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.18 62.47 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.985 ' HB2' HG21 ' A' ' 41' ' ' VAL . 45.2 t80 -109.18 95.11 5.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.015 -0.593 . . . . 0.0 109.825 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 5' ' ' VAL . 0.8 OUTLIER -69.0 101.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.556 ' OH ' HD21 ' A' ' 33' ' ' LEU . 83.7 t80 -65.09 121.68 15.28 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.835 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -106.94 106.54 58.48 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.23 -28.77 53.8 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.305 3.336 . . . . 0.0 109.573 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.34 58.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.85 -49.46 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.21 -123.96 6.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.606 ' OD1' HG21 ' A' ' 24' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 122.084 0.945 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.0 mm -136.11 125.01 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.14 144.07 27.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.7 122.21 4.77 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.289 3.326 . . . . 0.0 109.581 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.02 59.78 1.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.7 m -126.92 121.38 31.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 149.8 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' HD12 ' A' ' 33' ' ' LEU . 72.0 t80 -75.65 -6.97 53.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -98.21 -21.95 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -86.87 1.23 53.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.556 HD21 ' OH ' ' A' ' 13' ' ' TYR . 47.1 mt -61.19 143.73 92.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -43.22 166.69 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.334 3.356 . . . . 0.0 109.61 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -98.46 21.06 11.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -145.99 19.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -84.14 142.98 29.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.027 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -148.9 153.36 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.424 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 44.9 t -43.07 100.73 0.23 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 108.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.7 Cg_exo -68.77 -3.44 11.31 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.303 3.335 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.985 HG21 ' HB2' ' A' ' 11' ' ' TYR . 47.9 t -87.02 -66.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.22 -42.68 6.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.26 -32.17 2.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.636 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -27.26 136.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.97 -168.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -89.77 24.74 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.31 -6.46 10.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.604 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -87.76 12.76 12.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -112.69 151.79 29.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 52' ' ' GLN . 7.1 pt-20 -146.0 123.49 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -40.04 100.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 122.052 0.929 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -136.24 127.81 28.76 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.846 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.937 ' CG1' ' OXT' ' A' ' 52' ' ' GLN . 5.1 p -124.85 150.96 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.0 t -75.75 146.83 39.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.246 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 p -101.84 12.09 37.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.354 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.71 HG21 ' HB2' ' A' ' 44' ' ' ALA . 30.7 t -105.42 -45.91 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -116.79 -66.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.12 62.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.917 ' HB2' HG21 ' A' ' 41' ' ' VAL . 43.7 t80 -111.12 97.49 6.84 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.001 -0.599 . . . . 0.0 109.865 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.576 ' N ' HG23 ' A' ' 5' ' ' VAL . 2.6 pt-20 -68.55 109.12 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.268 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.701 ' OH ' HD21 ' A' ' 33' ' ' LEU . 27.9 t80 -83.2 137.26 34.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.849 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.89 140.79 31.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.3 -30.36 0.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.314 3.343 . . . . 0.0 109.616 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.02 -25.54 59.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 -36.06 7.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.31 -138.51 41.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 24' ' ' ILE . 36.2 m-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 122.051 0.929 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.752 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.6 mm -134.84 140.86 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.14 143.15 26.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.92 130.79 13.3 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 0.0 109.561 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.3 52.23 2.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.5 m -127.4 122.04 32.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 161.94 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.492 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 67.5 t80 -81.74 7.37 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.01 -17.58 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -94.12 3.04 55.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.701 HD21 ' OH ' ' A' ' 13' ' ' TYR . 56.5 mt -64.15 144.05 98.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.29 165.71 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.356 3.37 . . . . 0.0 109.581 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -97.65 20.24 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.82 17.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -83.79 142.09 30.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -146.86 154.27 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.433 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 49.6 t -44.27 101.55 0.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.2 Cg_exo -68.31 -3.06 10.15 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.271 3.314 . . . . 0.0 109.6 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.917 HG21 ' HB2' ' A' ' 11' ' ' TYR . 36.7 t -87.66 -66.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.9 p -101.32 -41.9 6.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.575 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 133.91 -30.31 2.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.71 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.21 135.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -53.86 -170.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -90.39 25.07 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -4.61 9.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.572 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -89.11 14.67 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 56.8 m-85 -113.91 151.38 32.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -161.04 144.19 12.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.91 103.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.937 ' OXT' ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 122.129 0.966 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 35.4 m-85 -123.47 135.89 54.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.814 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 17.8 t -111.8 137.98 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 18.5 t -76.0 144.21 41.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 108.264 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -101.56 6.77 42.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.995 HG21 ' CB ' ' A' ' 44' ' ' ALA . 95.4 t -99.32 -45.68 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -126.38 -68.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.259 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 170.32 -56.22 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.093 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.529 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.8 t80 33.74 -146.81 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.97 -0.615 . . . . 0.0 109.834 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER 164.17 84.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -74.31 119.26 18.28 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.854 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -110.86 105.17 57.01 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.02 -20.01 6.61 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 124.329 3.352 . . . . 0.0 109.628 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -21.75 57.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.5 -43.95 5.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.68 -142.15 15.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD2' ' NE1' ' A' ' 37' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 122.099 0.952 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.602 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.602 HD13 ' O ' ' A' ' 23' ' ' GLY . 4.7 mm -135.36 139.01 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -96.86 176.34 2.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 25' ' ' LYS . 8.5 Cg_exo -74.07 138.74 25.94 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.248 3.299 . . . . 0.0 109.609 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.75 46.88 36.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.591 HG21 HG23 ' A' ' 24' ' ' ILE . 91.4 m -104.68 120.2 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.401 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -67.1 150.29 49.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 58.4 t80 -72.42 -3.15 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.86 -18.99 20.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.27 7.99 43.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 60.1 mt -66.08 145.26 99.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 19.2 Cg_endo -59.18 -12.78 17.08 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.29 3.327 . . . . 0.0 109.588 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 16.3 t0 85.0 -50.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.19 -12.44 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.462 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . 92.6 t90 -56.07 153.98 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.014 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.18 156.7 39.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' GLY . 42.3 t -57.66 111.07 2.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.288 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -55.93 -11.62 5.77 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.331 3.354 . . . . 0.0 109.604 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.529 HG21 ' CD1' ' A' ' 11' ' ' TYR . 48.4 t -84.01 -70.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.4 p -94.51 -45.7 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 98.17 48.57 1.86 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.995 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -86.05 156.97 20.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.79 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 47' ' ' ASP . 22.0 p -53.23 135.48 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' CE ' ' HA ' ' A' ' 35' ' ' ASP . 14.2 ttpp -50.35 -21.82 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 45' ' ' SER . 1.1 t70 -86.5 44.82 1.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.37 -44.2 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.373 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 55.5 m-85 -59.14 150.15 26.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -145.02 123.6 12.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.602 ' O ' ' OXT' ' A' ' 52' ' ' GLN . 29.4 mtpt -39.75 106.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.75 ' HG3' ' OXT' ' A' ' 52' ' ' GLN . 24.4 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.442 HG22 ' OXT' ' A' ' 52' ' ' GLN . 19.7 mt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 122.102 0.954 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -131.64 134.74 46.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.833 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 12' ' ' GLU . 39.6 t -130.54 148.9 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.4 t -75.63 148.32 38.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.324 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -104.89 14.66 29.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.684 HG21 ' HB2' ' A' ' 44' ' ' ALA . 43.5 t -108.27 -45.91 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -117.73 -66.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.93 61.98 0.05 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 1.008 ' HB2' HG21 ' A' ' 41' ' ' VAL . 59.2 t80 -107.51 105.06 14.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.011 -0.595 . . . . 0.0 109.871 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.63 ' HA ' HG22 ' A' ' 5' ' ' VAL . 2.7 pt-20 -80.99 105.46 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' OH ' HD21 ' A' ' 33' ' ' LEU . 67.3 t80 -77.88 135.02 37.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.803 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.66 141.7 31.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -86.43 -24.79 1.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.325 3.35 . . . . 0.0 109.562 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.43 62.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -99.89 -46.0 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.05 -124.17 6.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 122.114 0.959 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.1 mm -135.88 139.24 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 145.12 30.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.4 125.43 9.05 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 124.293 3.329 . . . . 0.0 109.606 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.01 59.74 1.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -129.14 122.0 28.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.14 156.17 15.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' O ' HD12 ' A' ' 33' ' ' LEU . 76.4 t80 -78.29 -7.23 56.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.04 -21.03 17.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.35 2.18 53.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.465 HD21 ' OH ' ' A' ' 13' ' ' TYR . 45.2 mt -61.47 145.13 91.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.46 165.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.31 3.34 . . . . 0.0 109.607 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.26 22.58 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -148.81 20.43 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -85.54 143.81 28.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.965 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.06 153.52 36.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.428 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 49.4 t -42.99 100.78 0.23 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.411 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.1 Cg_exo -68.36 -2.93 9.95 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.325 3.35 . . . . 0.0 109.619 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.008 HG21 ' HB2' ' A' ' 11' ' ' TYR . 41.0 t -87.61 -66.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.8 p -101.23 -42.17 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.282 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.37 -31.4 2.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.684 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.13 135.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -54.13 -170.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -90.16 25.09 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -119.56 -5.47 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.583 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -90.34 17.13 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 50.4 m-85 -114.89 152.06 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -161.85 145.77 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -40.22 102.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.442 ' OXT' HG22 ' A' ' 3' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 122.093 0.949 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -136.94 122.63 19.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.824 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 7.6 p -117.53 145.36 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.8 t -75.23 147.71 40.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 p -102.75 14.55 31.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.671 HG21 ' HB2' ' A' ' 44' ' ' ALA . 40.0 t -108.5 -44.79 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -118.03 -66.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 108.251 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.12 62.95 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.908 ' CB ' HG21 ' A' ' 41' ' ' VAL . 18.2 t80 -112.49 88.83 2.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.003 -0.598 . . . . 0.0 109.827 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -56.4 104.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.637 ' OH ' HD21 ' A' ' 33' ' ' LEU . 60.1 t80 -71.79 140.97 49.68 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.863 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.91 141.62 41.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -87.21 -24.48 1.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.308 3.339 . . . . 0.0 109.632 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.25 -28.12 59.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -103.1 -40.72 6.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.88 -130.75 10.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 122.118 0.961 . . . . 0.0 109.283 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.533 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.533 HD13 ' O ' ' A' ' 23' ' ' GLY . 27.3 mm -127.06 134.6 65.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -102.55 176.11 1.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 25' ' ' LYS . 13.8 Cg_exo -71.03 133.55 23.46 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.301 3.334 . . . . 0.0 109.56 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.51 49.43 3.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.1 m -125.74 122.99 37.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.76 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -68.54 148.07 51.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -69.67 -5.64 26.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.59 -17.55 17.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -89.44 -1.02 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.637 HD21 ' OH ' ' A' ' 13' ' ' TYR . 50.2 mt -58.76 144.48 80.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 28.0 Cg_endo -62.7 163.13 22.49 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.3 3.333 . . . . 0.0 109.59 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 87.9 m-20 -90.94 88.58 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 3.8 m-20 156.5 -25.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.536 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . 79.2 t90 -48.12 134.19 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 107.968 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -138.47 155.5 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 45.9 t -44.64 101.59 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 12.0 Cg_exo -69.69 -2.41 10.07 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.36 3.373 . . . . 0.0 109.608 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.908 HG21 ' CB ' ' A' ' 11' ' ' TYR . 44.3 t -87.88 -62.19 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.2 p -106.15 -40.66 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.3 -30.2 2.94 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.671 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -27.22 137.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.743 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -62.77 -171.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -90.87 35.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -117.01 -38.58 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -51.94 -62.28 1.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' ALA . 96.0 m-85 -35.73 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 52' ' ' GLN . 10.2 pt-20 -149.12 122.15 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -40.33 98.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' GLU . 6.0 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 122.115 0.959 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -120.75 130.04 53.87 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.781 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.55 HG23 ' HG2' ' A' ' 52' ' ' GLN . 23.9 t -114.88 134.4 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.3 t -69.85 149.0 48.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.516 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 16.5 p -104.33 21.33 16.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.716 HG21 ' HB2' ' A' ' 44' ' ' ALA . 89.6 t -117.86 -47.05 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.27 -68.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 108.266 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 168.0 -54.2 0.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.885 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 34.63 -150.3 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.0 -0.6 . . . . 0.0 109.84 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 162.56 78.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.62 ' OH ' HD21 ' A' ' 33' ' ' LEU . 72.4 t80 -69.01 143.84 54.25 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.838 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -135.75 138.17 27.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.23 -38.26 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.334 3.356 . . . . 0.0 109.552 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.1 -26.97 63.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.87 -49.3 4.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 72.96 -153.48 48.61 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 122.086 0.946 . . . . 0.0 109.326 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.72 ' O ' HD13 ' A' ' 24' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.72 HD13 ' O ' ' A' ' 23' ' ' GLY . 13.5 mm -131.98 139.69 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.12 150.74 38.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -58.17 119.54 6.86 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.331 3.354 . . . . 0.0 109.572 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.43 59.61 1.08 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.5 m -125.75 132.49 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -71.71 157.75 37.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -78.69 3.5 16.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -109.01 -29.97 8.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -78.74 -3.7 45.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.62 HD21 ' OH ' ' A' ' 13' ' ' TYR . 58.0 mt -47.83 146.75 3.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.552 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 20.3 Cg_exo -32.6 -70.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.324 3.349 . . . . 0.0 109.591 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 3.7 m-20 151.97 -49.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.11 23.74 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -79.19 139.05 38.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 108.01 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -145.14 155.17 43.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 49.9 t -44.89 101.67 0.27 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.28 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -67.92 -2.3 8.45 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.324 3.349 . . . . 0.0 109.623 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.885 HG21 ' CD1' ' A' ' 11' ' ' TYR . 31.0 t -88.55 -65.12 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.44 ' SG ' HG11 ' A' ' 8' ' ' VAL . 26.3 p -104.08 -37.21 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.41 -28.48 3.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -20.58 127.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -55.1 -172.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HE2' HD12 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -92.4 34.23 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.52 -42.95 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.516 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -41.91 -65.24 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' ALA . 87.6 m-85 -35.24 149.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' GLN . 9.1 pt-20 -148.22 122.6 9.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.44 98.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.662 ' OXT' ' CG ' ' A' ' 52' ' ' GLN . 1.2 pp0? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.498 0.189 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.38 45.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 mt -101.69 148.04 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -137.19 126.35 24.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.836 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.576 HG23 ' N ' ' A' ' 12' ' ' GLU . 5.8 p -123.45 148.26 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.8 t -79.5 139.81 37.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.274 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.503 HG21 ' OE2' ' A' ' 50' ' ' GLU . 3.1 p -94.04 -3.11 51.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.735 HG21 ' HB2' ' A' ' 44' ' ' ALA . 20.0 t -85.81 -45.44 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -117.27 -63.6 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.94 61.26 0.2 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.952 ' CB ' HG21 ' A' ' 41' ' ' VAL . 4.8 t80 -118.26 95.7 5.0 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.02 -0.59 . . . . 0.0 109.843 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.576 ' N ' HG23 ' A' ' 5' ' ' VAL . 9.1 pt-20 -55.55 117.84 3.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.822 ' OH ' HD21 ' A' ' 33' ' ' LEU . 25.0 t80 -57.92 -45.87 85.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.855 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 17' ' ' LYS . 63.8 m-20 50.22 99.85 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.4 -33.14 36.52 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.289 3.326 . . . . 0.0 109.649 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.03 -21.01 57.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HB2' ' CB ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -87.99 -32.11 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.62 -135.49 4.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -149.95 134.09 9.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.081 0.943 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -87.31 -45.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.297 3.332 . . . . 0.0 109.557 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 22' ' ' SER . 60.4 m-20 -97.99 95.35 7.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER 159.87 -26.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.489 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 97.48 59.15 0.98 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 23' ' ' GLY . 11.7 mm -130.25 140.26 49.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.22 150.33 40.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -61.68 105.2 0.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.296 3.331 . . . . 0.0 109.59 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.24 65.13 0.74 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.443 1.089 . . . . 0.0 111.002 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 95.5 m -121.55 137.17 54.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.14 139.5 56.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -71.26 -4.62 26.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.12 -23.1 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -86.76 -2.61 58.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.822 HD21 ' OH ' ' A' ' 13' ' ' TYR . 72.5 mt -58.45 146.96 70.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' LEU . 87.2 Cg_exo -42.31 165.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.323 3.349 . . . . 0.0 109.621 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -98.48 20.49 12.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -144.87 18.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.373 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -82.97 145.81 29.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 107.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 40' ' ' PRO . . . -152.82 153.41 33.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.407 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 47.4 t -42.2 100.31 0.22 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' ALA . 15.0 Cg_exo -67.94 -4.87 13.24 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.3 3.333 . . . . 0.0 109.595 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.952 HG21 ' CB ' ' A' ' 11' ' ' TYR . 61.6 t -85.54 -66.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -100.19 -45.5 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.584 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 137.66 -32.58 2.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.735 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -24.68 133.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -175.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -90.53 38.65 0.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.34 9.57 4.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.64 -23.14 13.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -70.5 151.38 45.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.503 ' OE2' HG21 ' A' ' 7' ' ' THR . 5.7 pt-20 -143.89 124.15 13.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -42.62 100.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mtt . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.47 0.176 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -162.7 133.25 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 mp -111.35 152.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 51' ' ' LYS . 64.2 m-85 -132.87 122.91 25.08 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.754 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 9.7 p -117.86 147.54 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.1 t -75.14 148.07 39.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.402 HG21 ' OE2' ' A' ' 50' ' ' GLU . 6.1 p -103.52 16.75 25.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.608 HG21 ' HB2' ' A' ' 44' ' ' ALA . 48.2 t -111.47 -45.14 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.2 -68.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.3 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.8 62.22 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.916 ' HB2' HG21 ' A' ' 41' ' ' VAL . 43.3 t80 -102.55 98.89 8.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.961 -0.62 . . . . 0.0 109.807 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 95.07 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.706 ' OH ' HD21 ' A' ' 33' ' ' LEU . 67.5 t80 -73.26 141.69 47.23 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -128.54 141.74 42.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.45 -36.9 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.335 3.356 . . . . 0.0 109.575 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.41 -23.71 58.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.14 -50.96 4.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.22 -146.89 28.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -143.17 75.16 17.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.063 0.935 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -71.7 54.1 1.95 Allowed 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 124.311 3.341 . . . . 0.0 109.594 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -133.62 -74.52 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -50.65 73.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.95 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 162.01 54.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.564 HD13 ' O ' ' A' ' 23' ' ' GLY . 24.5 mm -128.89 138.05 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -95.03 155.5 38.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -63.41 134.8 46.61 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.301 3.334 . . . . 0.0 109.571 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.07 44.29 6.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.9 m -113.53 121.84 45.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.416 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -56.94 150.76 16.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -76.42 -3.35 36.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -101.47 -21.49 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -87.5 0.44 55.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.706 HD21 ' OH ' ' A' ' 13' ' ' TYR . 46.0 mt -58.59 145.35 77.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.3 165.27 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.314 3.343 . . . . 0.0 109.583 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -98.35 22.51 9.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.8 20.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -85.59 144.98 27.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 108.022 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -151.61 153.11 33.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.441 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 48.8 t -42.98 100.68 0.23 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.3 Cg_exo -69.05 -2.36 9.52 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.31 3.34 . . . . 0.0 109.569 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.916 HG21 ' HB2' ' A' ' 11' ' ' TYR . 44.7 t -87.74 -62.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -106.77 -39.17 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 108.251 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 133.42 -29.83 3.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.608 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.11 135.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -60.28 -171.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -91.08 36.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -117.6 -49.87 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -40.26 -60.5 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ALA . 85.3 m-85 -36.07 149.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.4 pt-20 -149.58 122.01 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -44.63 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.514 0.197 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -171.88 96.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -98.14 149.41 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' A' ' 30' ' ' PHE . 37.7 m-85 -119.67 128.86 54.22 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.87 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 10' ' ' GLY . 39.0 t -118.87 135.73 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.3 t -71.01 148.84 47.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 108.333 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.412 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 12.4 p -105.02 20.49 18.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.771 HG21 ' HB2' ' A' ' 44' ' ' ALA . 79.0 t -116.01 -46.56 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.17 -67.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 108.326 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.595 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 166.92 -56.33 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.9 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.0 t80 35.29 -151.26 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.972 -0.614 . . . . 0.0 109.851 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 1.5 pt-20 163.58 82.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.724 ' OH ' HD21 ' A' ' 33' ' ' LEU . 75.9 t80 -77.71 145.18 36.72 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.804 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' GLY . 7.0 m-20 -140.99 139.61 19.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -80.94 -17.33 9.56 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.351 3.367 . . . . 0.0 109.563 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.32 -41.53 56.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.74 -36.48 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.88 -139.71 23.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -137.85 64.83 43.94 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 122.057 0.932 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 21.2 Cg_endo -60.73 -164.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.308 3.339 . . . . 0.0 109.673 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 3.2 t70 81.62 33.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t 69.82 95.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.027 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.469 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 157.43 -58.39 0.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.469 HD13 ' O ' ' A' ' 23' ' ' GLY . 18.9 mm -125.76 145.15 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 153.02 40.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -62.22 132.68 39.94 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.338 3.359 . . . . 0.0 109.564 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.62 48.6 4.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.4 m -116.88 122.9 45.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.08 161.72 12.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.454 ' CD2' ' CE2' ' A' ' 4' ' ' TYR . 76.4 t80 -84.81 4.07 34.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -6.4 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -104.45 -8.71 18.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.724 HD21 ' OH ' ' A' ' 13' ' ' TYR . 62.7 mt -49.85 146.72 7.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 33' ' ' LEU . 78.9 Cg_exo -41.11 163.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.311 3.34 . . . . 0.0 109.608 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.04 23.91 6.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -151.7 22.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -87.29 145.21 26.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -153.28 152.45 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' GLY . 48.8 t -43.32 100.81 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 15.9 Cg_exo -67.44 -2.02 7.55 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.343 3.362 . . . . 0.0 109.559 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.9 HG21 ' CD1' ' A' ' 11' ' ' TYR . 32.9 t -89.16 -64.98 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.301 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.8 p -103.22 -38.12 7.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.305 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.595 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.47 -29.42 3.45 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.771 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -23.55 131.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -170.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 30' ' ' PHE . 15.1 ttpp -92.28 30.92 1.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.01 -43.9 2.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.412 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -43.86 -62.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' ALA . 84.3 m-85 -36.53 149.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.3 pt-20 -149.09 122.31 8.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' GLU . 18.4 ttpt -40.2 98.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.7 ttp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.511 0.196 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -172.64 135.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.419 ' CG1' ' OD1' ' A' ' 14' ' ' ASP . 3.1 mp -96.16 150.33 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -118.5 124.28 47.18 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.814 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 10' ' ' GLY . 13.1 t -110.69 136.44 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 43.7 t -71.13 149.23 46.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 108.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.47 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 16.7 p -104.7 21.35 17.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.392 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.874 HG21 ' HB2' ' A' ' 44' ' ' ALA . 87.8 t -117.83 -47.18 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -120.32 -68.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.306 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.486 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 168.26 -54.68 0.22 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.9 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 34.68 -150.18 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.964 -0.618 . . . . 0.0 109.841 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 163.08 80.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.341 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.612 ' OH ' HD21 ' A' ' 33' ' ' LEU . 75.6 t80 -72.16 144.96 48.39 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.832 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' OD1' ' CG1' ' A' ' 3' ' ' ILE . 2.3 m-20 -137.23 137.24 22.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -82.72 -39.36 0.14 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.303 3.335 . . . . 0.0 109.606 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.05 -26.49 63.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -97.15 -52.16 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.39 -155.01 39.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.21 83.58 65.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-O 122.086 0.946 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -71.39 96.39 0.73 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.319 3.346 . . . . 0.0 109.616 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 179.26 60.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m 39.57 52.55 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.542 ' O ' HD13 ' A' ' 24' ' ' ILE . . . -153.42 -57.1 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.542 HD13 ' O ' ' A' ' 23' ' ' GLY . 25.1 mm -126.59 145.4 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.54 150.18 37.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.43 123.49 13.49 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.6 57.13 1.56 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 m -123.88 132.19 53.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -72.34 153.16 41.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -75.27 -0.28 19.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -106.45 -19.41 13.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -90.53 -1.03 57.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.612 HD21 ' OH ' ' A' ' 13' ' ' TYR . 50.0 mt -49.82 146.48 7.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 30.7 Cg_exo -31.87 -70.82 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.35 3.367 . . . . 0.0 109.572 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 2.6 m-20 151.8 -49.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.44 21.43 4.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.47 ' HB3' ' CE ' ' A' ' 46' ' ' LYS . 75.2 t90 -78.86 138.79 38.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 108.002 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -145.32 154.31 42.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' GLY . 49.5 t -44.43 101.34 0.25 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 108.266 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.9 Cg_exo -68.06 -2.72 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.358 3.372 . . . . 0.0 109.581 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.9 HG21 ' CD1' ' A' ' 11' ' ' TYR . 35.0 t -87.95 -62.93 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' HG11 ' A' ' 8' ' ' VAL . 27.3 p -105.18 -40.02 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 108.293 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.619 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 132.66 -30.52 3.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.874 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -21.64 128.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.78 -171.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' CE ' ' HB3' ' A' ' 37' ' ' TRP . 11.6 ttmt -92.83 30.34 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -116.66 -39.05 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.47 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -45.18 -65.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ALA . 91.6 m-85 -35.78 149.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.6 pt-20 -148.3 122.39 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -40.51 98.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.522 0.201 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 165.05 -72.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 6.0 mt -104.28 149.24 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 34.4 m-85 -132.5 139.75 48.06 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.833 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 4.0 p -128.52 141.49 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.08 148.33 39.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.275 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 48' ' ' ALA . 7.3 p -103.56 15.23 29.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.729 HG21 ' HB2' ' A' ' 44' ' ' ALA . 40.2 t -109.54 -45.18 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.93 -68.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.281 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.2 62.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.889 ' HB2' HG21 ' A' ' 41' ' ' VAL . 45.8 t80 -101.01 100.77 11.42 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.026 -0.587 . . . . 0.0 109.878 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.31 89.17 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.794 ' OH ' HD21 ' A' ' 33' ' ' LEU . 72.8 t80 -69.29 144.19 53.64 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.832 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.28 140.5 38.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -83.46 -23.56 3.35 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.271 3.314 . . . . 0.0 109.56 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.18 -31.99 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.77 -40.86 7.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.2 -127.47 8.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -155.99 75.05 4.96 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.061 0.934 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -76.85 89.61 1.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.34 3.36 . . . . 0.0 109.6 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.1 t70 179.22 -56.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -80.64 -56.94 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.814 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 174.17 47.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.814 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.5 mm -137.04 131.72 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -106.76 146.75 33.72 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.93 135.96 13.8 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.357 3.371 . . . . 0.0 109.573 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.37 48.49 4.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 90.6 m -124.85 121.47 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.04 148.91 42.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -72.71 -2.77 21.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.14 -22.74 14.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.14 0.54 53.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.794 HD21 ' OH ' ' A' ' 13' ' ' TYR . 46.8 mt -59.87 144.55 85.82 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.162 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -43.36 167.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.355 3.37 . . . . 0.0 109.571 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -98.84 21.25 11.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -145.87 18.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -85.43 142.36 29.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 40' ' ' PRO . . . -149.1 154.05 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' GLY . 50.1 t -42.67 100.52 0.23 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' ALA . 13.5 Cg_exo -68.7 -2.77 9.96 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.34 3.36 . . . . 0.0 109.612 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.889 HG21 ' HB2' ' A' ' 11' ' ' TYR . 43.6 t -87.13 -61.31 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.9 p -106.58 -40.91 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.574 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 132.43 -30.51 3.14 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.79 136.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.43 -170.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -90.96 25.98 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -119.87 -5.42 10.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.467 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -90.73 17.39 7.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 53.9 m-85 -115.08 150.67 35.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -148.97 122.74 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -40.38 105.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.506 0.193 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -118.55 147.14 44.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mt -107.99 147.18 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -109.16 135.26 50.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.867 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 40.0 t -116.36 132.31 66.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.459 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 48.6 t -68.64 150.55 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.596 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 7.8 p -106.0 20.33 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.097 HG21 ' HB2' ' A' ' 44' ' ' ALA . 83.3 t -117.54 -48.53 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.15 -69.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 168.81 -55.42 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.928 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 35.33 -151.3 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.009 -0.596 . . . . 0.0 109.811 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 163.39 79.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.41 ' OH ' HD21 ' A' ' 33' ' ' LEU . 64.1 t80 -64.33 119.07 9.64 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.863 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -111.73 102.24 53.03 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.29 -18.01 17.35 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.322 3.348 . . . . 0.0 109.62 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.95 -32.81 65.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.71 -41.87 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.57 -120.98 6.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.53 141.46 6.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 122.048 0.928 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -87.52 -44.82 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.304 3.336 . . . . 0.0 109.604 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -69.56 156.34 39.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 m 76.28 -56.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.637 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 126.22 89.63 0.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.637 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.4 mm -134.02 145.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -96.62 150.6 37.19 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -59.09 115.5 2.6 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.316 3.344 . . . . 0.0 109.584 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.9 61.16 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.2 m -123.26 133.31 54.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.34 164.6 26.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -84.43 1.15 46.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -108.57 -7.23 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.52 1.91 27.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' HB2' ' NZ ' ' A' ' 46' ' ' LYS . 51.7 mt -54.72 146.55 35.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 13.1 Cg_exo -33.49 -70.13 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.333 3.355 . . . . 0.0 109.547 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 150.7 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.92 22.28 4.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -78.3 143.72 36.73 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.41 152.09 33.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.4 t -44.3 101.38 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 108.277 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.7 Cg_exo -68.23 -3.91 11.71 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.337 3.358 . . . . 0.0 109.559 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.928 HG21 ' CD1' ' A' ' 11' ' ' TYR . 47.8 t -87.35 -67.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.507 ' SG ' HG11 ' A' ' 8' ' ' VAL . 29.2 p -96.82 -45.82 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.614 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.57 -33.15 2.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.097 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -21.12 128.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -52.51 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.987 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 33' ' ' LEU . 11.1 ttpt -92.34 30.55 1.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -130.95 33.87 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.596 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -124.09 -42.19 2.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 71.9 m-85 -55.17 150.44 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -145.73 123.6 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -47.03 99.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.505 0.193 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -172.84 81.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 3' ' ' ILE . 2.7 mm -106.71 154.67 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 13' ' ' TYR . 55.2 m-85 -130.78 139.04 50.19 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.842 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 p -132.59 147.09 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.3 t -77.82 148.56 34.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 p -103.27 13.33 34.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.707 HG21 ' HB2' ' A' ' 44' ' ' ALA . 51.3 t -107.66 -45.96 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -117.83 -67.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.25 62.9 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.522 1.138 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.883 ' CB ' HG21 ' A' ' 41' ' ' VAL . 13.8 t80 -111.67 89.6 3.1 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.875 -0.584 . . . . 0.0 109.81 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 109.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.744 ' OH ' HD21 ' A' ' 33' ' ' LEU . 37.1 t80 -84.83 115.88 22.98 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.82 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -94.66 139.82 22.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -86.97 -29.36 0.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.313 3.342 . . . . 0.0 109.608 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.88 -22.74 58.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.35 -49.96 4.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.67 -130.88 11.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -150.29 64.21 6.56 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.012 0.911 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 13.7 Cg_endo -56.51 -162.0 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.287 3.324 . . . . 0.0 109.592 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 60.39 53.05 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.27 101.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.47 -85.28 0.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.0 mm -121.53 143.95 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -90.43 157.67 44.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -67.62 135.72 36.88 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.294 3.329 . . . . 0.0 109.619 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.26 40.18 9.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 m -109.94 121.97 46.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -60.24 154.87 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 30' ' ' PHE . 73.2 t80 -80.17 4.01 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -106.81 -16.69 14.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -95.67 3.77 53.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.744 HD21 ' OH ' ' A' ' 13' ' ' TYR . 47.9 mt -62.62 145.16 95.53 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -43.6 165.58 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.252 3.301 . . . . 0.0 109.598 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -98.03 20.83 11.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -144.25 17.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -84.13 145.63 28.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -151.5 150.82 30.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLY . 45.2 t -43.62 100.86 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.0 Cg_exo -68.53 -4.09 12.36 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.332 3.355 . . . . 0.0 109.619 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.883 HG21 ' CB ' ' A' ' 11' ' ' TYR . 52.3 t -86.25 -61.59 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.36 -43.07 5.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 108.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.581 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.12 -31.79 2.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.707 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -25.56 134.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.3 p -60.4 -173.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -90.54 38.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.24 19.5 3.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.97 -29.98 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -66.37 151.55 46.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -145.72 123.76 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.76 108.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.482 0.182 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 27.8 m-20 -103.16 64.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.405 HG23 ' OD1' ' A' ' 14' ' ' ASP . 2.5 mp -92.64 148.63 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -116.36 124.0 49.0 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.818 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 51' ' ' LYS . 9.7 p -99.2 130.2 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 37.1 t -65.35 148.44 51.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.432 HG22 ' HB1' ' A' ' 48' ' ' ALA . 8.0 t -111.7 19.68 17.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.054 HG21 ' CB ' ' A' ' 44' ' ' ALA . 74.9 t -114.48 -46.82 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -126.28 -65.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 108.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 171.64 -62.71 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CD1' HG21 ' A' ' 41' ' ' VAL . 3.1 t80 34.97 -150.79 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.027 -0.586 . . . . 0.0 109.817 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 169.19 89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -80.94 121.71 26.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' LYS . 1.4 m-20 -120.72 111.49 34.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HG2' ' O ' ' A' ' 2' ' ' ASP . 86.2 Cg_exo -49.15 -21.41 4.22 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.264 3.309 . . . . 0.0 109.659 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.79 -30.78 61.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -93.71 -46.32 7.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.34 -140.52 19.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -156.9 73.97 4.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.11 0.957 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.88 -10.68 23.62 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.313 3.342 . . . . 0.0 109.584 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -114.42 37.38 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.21 29.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 64.33 45.79 92.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 23' ' ' GLY . 9.7 mm -136.48 141.84 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -103.62 145.42 30.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 74.6 Cg_exo -45.99 121.97 4.82 Favored 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.316 3.344 . . . . 0.0 109.581 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.04 65.68 1.22 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.5 m -130.83 121.29 25.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.351 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 151.84 38.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.468 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 65.6 t80 -76.21 0.62 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -102.52 -11.65 18.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -102.22 8.03 40.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 34' ' ' PRO . 68.8 mt -62.91 143.66 97.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 81.0 Cg_exo -33.83 -69.48 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.324 3.349 . . . . 0.0 109.591 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 5.4 m-20 153.65 -47.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -97.34 28.74 3.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.407 ' CZ3' ' CE2' ' A' ' 49' ' ' PHE . 88.3 t90 -73.62 151.77 40.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 107.937 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.42 167.65 25.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.8 t -71.0 115.18 33.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 108.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -55.83 -10.85 4.43 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.296 3.331 . . . . 0.0 109.62 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.517 HG21 ' CD1' ' A' ' 11' ' ' TYR . 39.5 t -87.56 -68.36 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.498 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 8.4 p -93.36 -47.07 7.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 97.08 49.9 1.83 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.054 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -89.77 152.02 21.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 0.73 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -52.44 139.35 25.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.997 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -44.66 -26.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 45' ' ' SER . 54.2 m-20 -57.2 -40.02 76.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' SER . . . -39.26 -84.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 96.0 m-85 -33.93 131.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -147.84 72.73 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.597 ' O ' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER 61.23 147.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.551 ' HA ' HG12 ' A' ' 5' ' ' VAL . 2.0 pt20 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.527 0.203 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -171.89 69.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mt -106.64 147.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 30' ' ' PHE . 25.7 m-85 -117.95 142.36 47.43 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.787 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.25 127.25 75.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 20.7 t -69.33 146.82 51.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -109.59 14.05 23.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 110.4 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.98 HG21 ' CB ' ' A' ' 44' ' ' ALA . 84.3 t -107.61 -47.88 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -123.65 -65.2 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 108.288 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.8 61.41 0.1 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.816 ' HB2' HG21 ' A' ' 41' ' ' VAL . 7.6 t80 -114.95 91.44 3.62 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.825 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.09 117.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.572 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 43.9 t80 -83.43 67.32 9.28 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.835 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -56.32 111.21 2.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.41 -21.6 14.17 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.336 3.358 . . . . 0.0 109.606 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.53 -24.26 53.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -94.41 -17.68 22.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.28 -127.57 4.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.12 87.31 1.68 Allowed Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 122.063 0.935 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.09 -6.29 16.5 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.344 3.363 . . . . 0.0 109.59 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.95 62.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.48 -36.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.057 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 131.85 43.51 0.17 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.523 HD13 ' O ' ' A' ' 23' ' ' GLY . 6.5 mm -134.18 143.87 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -114.91 145.39 33.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.33 132.79 15.64 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.296 3.331 . . . . 0.0 109.587 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.2 48.96 3.63 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 89.4 m -125.52 119.09 27.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.352 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -61.9 149.87 39.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 30' ' ' PHE . 22.8 t80 -73.23 -8.14 54.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -92.93 -12.08 31.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -101.76 9.53 40.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD21 ' OH ' ' A' ' 13' ' ' TYR . 71.5 mt -67.39 144.29 97.85 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 77.6 Cg_exo -38.19 -69.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.301 3.334 . . . . 0.0 109.628 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER 153.75 -46.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -92.47 25.32 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.421 ' CZ3' ' CE1' ' A' ' 49' ' ' PHE . 90.1 t90 -68.65 160.73 29.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.75 161.13 41.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 43' ' ' GLY . 52.7 t -65.4 114.5 15.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -54.74 -12.58 4.73 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.294 3.329 . . . . 0.0 109.565 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.816 HG21 ' HB2' ' A' ' 11' ' ' TYR . 44.2 t -85.6 -67.93 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.505 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 9.7 p -93.76 -47.69 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.347 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 98.35 47.42 2.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.98 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -86.66 163.68 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 t -57.52 139.77 52.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -51.01 -21.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -85.64 47.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.09 -44.65 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 61.6 m-85 -63.65 151.77 40.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -143.31 124.55 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.904 ' O ' ' OXT' ' A' ' 52' ' ' GLN . 4.2 ttpm? -43.62 101.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.904 ' OXT' ' O ' ' A' ' 51' ' ' LYS . 16.3 pt20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.53 0.205 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 0.4 OUTLIER 171.79 110.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -105.72 149.56 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 31.6 m-85 -114.35 131.13 56.65 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.776 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' GLY . 39.2 t -117.05 133.89 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.63 148.29 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 p -105.38 20.84 18.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.804 HG21 ' HB2' ' A' ' 44' ' ' ALA . 90.6 t -116.08 -46.99 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.32 -68.01 0.94 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 108.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 166.68 -54.03 0.24 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.913 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.2 t80 33.87 -148.08 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.014 -0.593 . . . . 0.0 109.799 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 159.61 84.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.706 ' OH ' HD21 ' A' ' 33' ' ' LEU . 64.4 t80 -70.18 118.69 13.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.787 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.45 102.67 53.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HG2' ' O ' ' A' ' 2' ' ' ASP . 52.3 Cg_exo -55.33 -17.01 14.75 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.334 3.356 . . . . 0.0 109.582 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.7 -41.7 52.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.96 -45.66 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.2 -140.28 20.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.471 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -128.5 89.22 50.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.073 0.939 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -81.25 54.45 5.19 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.316 3.344 . . . . 0.0 109.589 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -132.2 35.81 3.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.62 70.45 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.032 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.75 ' O ' HD13 ' A' ' 24' ' ' ILE . . . -177.71 -37.01 0.06 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.75 HD13 ' O ' ' A' ' 23' ' ' GLY . 9.3 mm -134.17 145.08 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.96 152.27 38.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -58.66 123.9 14.58 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.368 3.379 . . . . 0.0 109.581 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.12 57.04 1.52 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -122.2 139.99 53.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.359 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 175.14 10.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -93.26 -10.54 35.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.39 -10.98 26.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -98.47 -12.38 21.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.706 HD21 ' OH ' ' A' ' 13' ' ' TYR . 56.4 mt -51.51 146.42 12.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' LEU . 95.5 Cg_exo -42.07 165.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.318 3.345 . . . . 0.0 109.571 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -98.05 22.56 9.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.7 20.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -86.89 145.86 26.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 108.026 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -153.74 152.41 30.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 43' ' ' GLY . 48.3 t -43.68 100.92 0.24 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 15.9 Cg_exo -67.4 -2.3 8.0 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.308 3.339 . . . . 0.0 109.62 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.913 HG21 ' CD1' ' A' ' 11' ' ' TYR . 34.9 t -88.92 -64.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 26.6 p -103.4 -38.51 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.266 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.603 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.46 -29.13 3.49 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.804 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -23.05 131.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.361 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.9 p -56.91 -171.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -92.15 29.67 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -115.73 -44.25 2.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -41.06 -64.46 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' ALA . 88.4 m-85 -36.24 149.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.9 pt-20 -148.89 123.19 9.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 2.8 mtpm? -40.25 99.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.502 ' OXT' ' OE1' ' A' ' 52' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.228 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.527 0.203 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.13 57.28 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.0 mt -112.37 148.75 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -114.18 141.67 47.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.85 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.855 HG23 ' OXT' ' A' ' 52' ' ' GLN . 61.6 t -129.06 138.83 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 45.0 t -72.04 150.87 43.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.428 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 6.9 p -105.94 18.47 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.902 HG21 ' HB2' ' A' ' 44' ' ' ALA . 60.4 t -114.92 -47.48 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.15 -68.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.672 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 168.42 -59.13 0.21 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.94 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 37.02 -155.28 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.034 -0.583 . . . . 0.0 109.817 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 169.59 87.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.656 ' OH ' HD21 ' A' ' 33' ' ' LEU . 74.9 t80 -82.54 145.69 29.61 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.811 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' GLY . 4.1 m-20 -136.99 140.93 32.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -84.14 -17.71 5.51 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.273 3.315 . . . . 0.0 109.588 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.47 -40.76 49.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.41 -34.74 9.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 77.41 -136.53 18.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -130.89 88.74 44.98 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 122.066 0.936 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -89.13 43.23 0.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.281 3.321 . . . . 0.0 109.597 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -165.38 52.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 p -177.88 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.639 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 151.81 51.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 23' ' ' GLY . 11.1 mm -133.89 144.54 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.0 156.35 38.02 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -64.39 137.08 53.89 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.296 3.331 . . . . 0.0 109.598 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.15 42.27 9.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.4 m -109.79 120.91 43.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.366 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -63.81 147.53 51.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -68.64 -17.82 64.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -7.83 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -100.51 -10.91 20.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.656 HD21 ' OH ' ' A' ' 13' ' ' TYR . 51.7 mt -50.23 147.6 7.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 33' ' ' LEU . 91.6 Cg_exo -41.78 164.64 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.288 3.326 . . . . 0.0 109.603 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -98.63 21.87 10.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -145.7 18.35 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 75.9 t90 -84.8 149.46 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -157.1 149.72 23.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 42.1 t -43.78 101.02 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 108.345 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 15.6 Cg_exo -67.68 -3.02 9.51 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.367 3.378 . . . . 0.0 109.59 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.94 HG21 ' CD1' ' A' ' 11' ' ' TYR . 47.2 t -88.57 -67.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.48 -42.73 7.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.71 -30.86 3.18 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.902 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -25.28 135.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.3 p -60.88 -172.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -91.85 31.02 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.74 34.86 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.428 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -128.87 -44.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 69.1 m-85 -52.78 151.66 4.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -160.62 140.26 10.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.415 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -40.23 102.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.855 ' OXT' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.473 0.178 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.25 79.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mt -108.21 148.25 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -140.33 126.8 20.13 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.812 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 12' ' ' GLU . 3.2 t -123.05 150.07 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.6 t -73.05 150.17 42.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.297 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.983 HG22 ' O ' ' A' ' 48' ' ' ALA . 9.9 t -111.4 17.89 19.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.36 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.553 HG23 ' HB1' ' A' ' 48' ' ' ALA . 42.6 t -111.06 -46.21 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.47 -63.06 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.1 62.61 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.991 ' HB2' HG21 ' A' ' 41' ' ' VAL . 71.0 t80 -114.46 113.11 24.04 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.824 -0.608 . . . . 0.0 109.865 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.51 ' N ' HG13 ' A' ' 5' ' ' VAL . 12.1 pt-20 -87.47 114.45 24.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.646 ' OH ' HD21 ' A' ' 33' ' ' LEU . 67.6 t80 -84.5 140.46 31.45 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.959 -1.018 . . . . 0.0 109.827 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.17 142.2 37.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -85.67 -23.6 2.12 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.291 3.327 . . . . 0.0 109.556 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.38 -39.63 38.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 -42.88 9.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.8 -126.5 7.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.082 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -161.49 80.04 2.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-O 122.08 0.943 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -38.41 -48.73 2.46 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.34 3.36 . . . . 0.0 109.583 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 22' ' ' SER . 24.9 p30 -61.39 153.54 26.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 2.3 t 84.34 -56.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.745 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 142.73 64.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.973 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 23' ' ' GLY . 7.1 mm -137.24 141.68 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 143.91 29.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.93 133.08 14.35 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.334 3.356 . . . . 0.0 109.608 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.47 50.98 3.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.959 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 m -127.56 120.62 28.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 0.775 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -57.15 159.74 4.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -82.95 -4.05 57.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -100.43 -23.05 14.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.79 -0.04 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.646 HD21 ' OH ' ' A' ' 13' ' ' TYR . 46.8 mt -59.43 145.49 81.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -43.47 167.22 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.305 3.337 . . . . 0.0 109.597 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -100.22 21.41 13.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -145.9 19.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -83.91 145.26 28.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 107.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.86 153.37 35.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.42 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 45.9 t -43.18 100.99 0.23 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.405 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.2 Cg_exo -68.92 -2.37 9.44 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.28 3.32 . . . . 0.0 109.612 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.991 HG21 ' HB2' ' A' ' 11' ' ' TYR . 45.7 t -88.67 -68.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.7 p -99.27 -43.09 6.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.73 -31.95 2.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB1' ' CB ' ' A' ' 48' ' ' ALA . . . -26.77 136.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -169.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -89.03 22.96 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -117.72 -7.65 10.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.983 ' O ' HG22 ' A' ' 7' ' ' THR . . . -80.18 -2.8 46.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -98.81 133.59 42.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.0 pt-20 -128.54 127.33 42.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -38.5 98.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.545 0.212 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 15' ' ' PRO . 6.6 m-20 40.33 86.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mt -113.24 146.92 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 30' ' ' PHE . 61.4 m-85 -122.47 140.74 52.4 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.813 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 63.4 t -124.55 138.46 53.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 27.3 t -75.12 147.51 40.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 108.225 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -107.02 14.61 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.997 HG21 ' CB ' ' A' ' 44' ' ' ALA . 79.1 t -109.61 -46.51 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.65 -68.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.152 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.68 61.99 0.06 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.844 ' HB2' HG21 ' A' ' 41' ' ' VAL . 9.5 t80 -109.78 89.63 3.07 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.979 -0.611 . . . . 0.0 109.826 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -47.84 117.94 2.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.841 ' OH ' HD21 ' A' ' 33' ' ' LEU . 48.2 t80 -90.83 102.12 14.88 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.841 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.54 135.29 64.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HG3' ' O ' ' A' ' 2' ' ' ASP . 42.4 Cg_endo -86.76 -26.08 1.03 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.317 3.345 . . . . 0.0 109.604 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.54 -22.9 53.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.39 -44.93 5.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.04 -131.85 11.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.95 87.33 3.04 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 122.089 0.947 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -82.58 63.95 8.11 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.28 3.32 . . . . 0.0 109.628 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -141.44 -51.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.0 t -87.12 -60.36 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.715 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 176.8 57.04 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.715 HD13 ' O ' ' A' ' 23' ' ' GLY . 7.4 mm -137.94 141.04 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.36 147.37 37.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.48 134.49 16.33 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.374 3.383 . . . . 0.0 109.571 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.91 53.32 3.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -128.43 119.5 25.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 0.0 110.419 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -64.6 144.56 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 33.1 t80 -65.64 -10.59 37.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -89.49 8.33 31.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -125.68 12.61 7.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.841 HD21 ' OH ' ' A' ' 13' ' ' TYR . 47.1 mt -76.59 140.61 68.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' LEU . 73.7 Cg_exo -41.64 164.39 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.303 3.336 . . . . 0.0 109.581 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -93.21 23.32 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.15 22.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -78.17 156.7 29.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 108.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.36 163.68 39.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' ' 43' ' ' GLY . 53.9 t -65.08 114.23 14.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -54.97 -13.42 6.36 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.308 3.338 . . . . 0.0 109.559 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.844 HG21 ' HB2' ' A' ' 11' ' ' TYR . 43.8 t -83.95 -66.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.507 ' SG ' ' CG1' ' A' ' 8' ' ' VAL . 9.4 p -96.7 -48.92 5.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 100.19 49.08 1.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.997 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -86.67 165.28 16.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 47' ' ' ASP . 13.8 m -59.51 138.85 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.942 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -49.59 -22.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 45' ' ' SER . 5.0 t70 -84.57 48.72 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.34 -45.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 61.0 m-85 -63.03 151.69 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.92 ' OE1' ' OXT' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -158.56 140.19 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 4.5 mtmp? -39.94 104.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.92 ' OXT' ' OE1' ' A' ' 50' ' ' GLU . 1.2 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.5 0.19 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.58 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 2.8 m-20 -120.13 -41.26 2.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.9 mt -46.04 147.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 2' ' ' ASP . 62.1 m-85 -124.82 140.83 52.57 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.829 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.878 HG13 ' O ' ' A' ' 10' ' ' GLY . 99.0 t -124.46 140.06 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.2 t -73.56 147.18 44.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' ALA . 6.9 p -102.39 13.63 34.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.951 HG21 ' HB2' ' A' ' 44' ' ' ALA . 46.5 t -107.7 -46.94 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -119.01 -68.21 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 108.279 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.878 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 166.45 -53.71 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.846 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.4 t80 33.36 -147.18 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.977 -0.612 . . . . 0.0 109.815 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 160.04 79.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.449 ' OH ' HD21 ' A' ' 33' ' ' LEU . 66.8 t80 -66.46 122.48 17.64 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.964 -1.017 . . . . 0.0 109.828 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -111.25 103.08 54.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -49.37 -24.05 8.08 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 124.272 3.315 . . . . 0.0 109.618 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -31.37 59.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -94.91 -49.94 5.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.19 -120.81 5.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.459 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -162.07 82.41 1.76 Allowed Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.096 0.95 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 60.6 Cg_endo -76.13 -163.84 0.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.324 3.349 . . . . 0.0 109.595 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 4.2 m-20 79.17 21.55 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER 81.68 91.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.57 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 164.06 -57.22 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.57 HD13 ' O ' ' A' ' 23' ' ' GLY . 11.5 mm -131.15 145.44 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.26 150.07 40.83 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.17 114.06 2.16 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.341 3.361 . . . . 0.0 109.595 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.53 60.78 0.98 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 96.4 m -120.62 138.46 53.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -73.4 149.32 42.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -74.52 -0.89 19.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.48 -21.4 13.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -90.0 -6.64 55.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.449 HD21 ' OH ' ' A' ' 13' ' ' TYR . 29.4 mt -45.94 148.84 1.31 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.561 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 59.2 Cg_exo -47.7 -18.73 1.07 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.328 3.352 . . . . 0.0 109.575 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 4.8 m-20 87.74 -45.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.27 -3.11 31.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -67.75 140.59 56.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.02 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -145.14 154.24 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 44.2 t -45.62 102.09 0.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.9 Cg_exo -68.69 -3.18 10.71 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.302 3.335 . . . . 0.0 109.6 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.846 HG21 ' CD1' ' A' ' 11' ' ' TYR . 44.7 t -88.47 -68.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.6 p -96.21 -44.22 7.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 108.279 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.602 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.74 -32.58 2.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.951 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -23.25 131.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -53.53 -171.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -89.59 24.89 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -120.03 -6.0 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.605 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -91.12 22.07 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 54.2 m-85 -121.04 150.82 40.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' LYS . 4.3 tt0 -155.37 133.77 11.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -39.96 102.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.497 0.189 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -175.7 65.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 3.4 mt -107.78 145.93 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 13' ' ' TYR . 61.1 m-85 -131.95 125.78 32.46 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.811 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 12' ' ' GLU . 4.7 p -120.39 147.87 23.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.9 t -76.21 148.93 37.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.282 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 p -104.43 14.57 29.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.636 HG21 ' HB2' ' A' ' 44' ' ' ALA . 42.6 t -108.5 -45.62 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -116.89 -66.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 108.338 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.18 62.47 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.985 ' HB2' HG21 ' A' ' 41' ' ' VAL . 45.2 t80 -109.18 95.11 5.42 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.015 -0.593 . . . . 0.0 109.825 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 5' ' ' VAL . 0.8 OUTLIER -69.0 101.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.556 ' OH ' HD21 ' A' ' 33' ' ' LEU . 83.7 t80 -65.09 121.68 15.28 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.835 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -106.94 106.54 58.48 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.23 -28.77 53.8 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.305 3.336 . . . . 0.0 109.573 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.34 58.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.85 -49.46 5.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.21 -123.96 6.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.606 ' OD1' HG21 ' A' ' 24' ' ' ILE . 0.7 OUTLIER -158.23 78.7 3.28 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.084 0.945 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.41 68.34 6.1 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.329 3.352 . . . . 0.0 109.643 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 22' ' ' SER . 5.9 t70 177.98 57.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.5 OUTLIER 165.22 -58.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 167.51 48.36 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.0 mm -136.11 125.01 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.14 144.07 27.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.7 122.21 4.77 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.289 3.326 . . . . 0.0 109.581 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.02 59.78 1.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 84.7 m -126.92 121.38 31.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.364 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 149.8 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' HD12 ' A' ' 33' ' ' LEU . 72.0 t80 -75.65 -6.97 53.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -98.21 -21.95 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -86.87 1.23 53.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.556 HD21 ' OH ' ' A' ' 13' ' ' TYR . 47.1 mt -61.19 143.73 92.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -43.22 166.69 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.334 3.356 . . . . 0.0 109.61 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -98.46 21.06 11.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -145.99 19.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -84.14 142.98 29.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.027 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -148.9 153.36 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.424 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 44.9 t -43.07 100.73 0.23 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 108.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 13.7 Cg_exo -68.77 -3.44 11.31 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.303 3.335 . . . . 0.0 109.59 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.985 HG21 ' HB2' ' A' ' 11' ' ' TYR . 47.9 t -87.02 -66.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.22 -42.68 6.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 135.26 -32.17 2.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.636 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -27.26 136.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.97 -168.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -89.77 24.74 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -118.31 -6.46 10.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.604 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -87.76 12.76 12.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -112.69 151.79 29.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 52' ' ' GLN . 7.1 pt-20 -146.0 123.49 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -40.04 100.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.503 0.192 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 57.06 95.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.8 mt -84.81 149.5 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -136.24 127.81 28.76 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.846 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.937 ' CG1' ' OXT' ' A' ' 52' ' ' GLN . 5.1 p -124.85 150.96 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 31.0 t -75.75 146.83 39.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.246 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 p -101.84 12.09 37.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.354 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.71 HG21 ' HB2' ' A' ' 44' ' ' ALA . 30.7 t -105.42 -45.91 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -116.79 -66.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.12 62.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.917 ' HB2' HG21 ' A' ' 41' ' ' VAL . 43.7 t80 -111.12 97.49 6.84 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.001 -0.599 . . . . 0.0 109.865 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.576 ' N ' HG23 ' A' ' 5' ' ' VAL . 2.6 pt-20 -68.55 109.12 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.268 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.701 ' OH ' HD21 ' A' ' 33' ' ' LEU . 27.9 t80 -83.2 137.26 34.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.849 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.89 140.79 31.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.3 -30.36 0.31 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.314 3.343 . . . . 0.0 109.616 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.02 -25.54 59.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 -36.06 7.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.31 -138.51 41.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 24' ' ' ILE . 36.2 m-20 -142.15 138.21 16.52 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.051 0.929 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -87.41 -45.19 0.04 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.325 3.35 . . . . 0.0 109.613 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' SER . 3.2 m-20 -101.9 99.0 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.5 OUTLIER 159.82 -27.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.953 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.752 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 104.12 51.39 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.6 mm -134.84 140.86 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.14 143.15 26.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -45.92 130.79 13.3 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 0.0 109.561 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.3 52.23 2.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 91.5 m -127.4 122.04 32.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 161.94 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.492 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 67.5 t80 -81.74 7.37 12.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.01 -17.58 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -94.12 3.04 55.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.701 HD21 ' OH ' ' A' ' 13' ' ' TYR . 56.5 mt -64.15 144.05 98.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -44.29 165.71 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.356 3.37 . . . . 0.0 109.581 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -97.65 20.24 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.82 17.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -83.79 142.09 30.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -146.86 154.27 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.433 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 49.6 t -44.27 101.55 0.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.2 Cg_exo -68.31 -3.06 10.15 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.271 3.314 . . . . 0.0 109.6 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.917 HG21 ' HB2' ' A' ' 11' ' ' TYR . 36.7 t -87.66 -66.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.9 p -101.32 -41.9 6.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.575 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 133.91 -30.31 2.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.71 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.21 135.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -53.86 -170.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -90.39 25.07 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -4.61 9.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.572 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -89.11 14.67 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 56.8 m-85 -113.91 151.38 32.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -161.04 144.19 12.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.91 103.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.937 ' OXT' ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.525 0.202 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.744 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -120.42 -49.69 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.59 147.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 51' ' ' LYS . 35.4 m-85 -123.47 135.89 54.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.814 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 17.8 t -111.8 137.98 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 18.5 t -76.0 144.21 41.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 0.0 108.264 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 p -101.56 6.77 42.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.995 HG21 ' CB ' ' A' ' 44' ' ' ALA . 95.4 t -99.32 -45.68 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -126.38 -68.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.259 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . 170.32 -56.22 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.093 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.529 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.8 t80 33.74 -146.81 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.97 -0.615 . . . . 0.0 109.834 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER 164.17 84.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -74.31 119.26 18.28 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.854 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -110.86 105.17 57.01 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.744 ' HG2' ' O ' ' A' ' 2' ' ' ASP . 82.7 Cg_exo -51.02 -20.01 6.61 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 124.329 3.352 . . . . 0.0 109.628 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.57 -21.75 57.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.5 -43.95 5.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.68 -142.15 15.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD2' ' NE1' ' A' ' 37' ' ' TRP . 0.4 OUTLIER -145.89 87.52 6.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.099 0.952 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -68.19 155.95 67.54 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.331 3.354 . . . . 0.0 109.558 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.0 t70 45.97 75.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.3 -35.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.602 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 121.39 37.77 0.67 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.602 HD13 ' O ' ' A' ' 23' ' ' GLY . 4.7 mm -135.36 139.01 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -96.86 176.34 2.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 25' ' ' LYS . 8.5 Cg_exo -74.07 138.74 25.94 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.248 3.299 . . . . 0.0 109.609 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.75 46.88 36.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.038 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.591 HG21 HG23 ' A' ' 24' ' ' ILE . 91.4 m -104.68 120.2 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.401 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -67.1 150.29 49.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 58.4 t80 -72.42 -3.15 22.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.86 -18.99 20.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.27 7.99 43.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 60.1 mt -66.08 145.26 99.0 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 19.2 Cg_endo -59.18 -12.78 17.08 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.29 3.327 . . . . 0.0 109.588 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 16.3 t0 85.0 -50.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -64.19 -12.44 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.462 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . 92.6 t90 -56.07 153.98 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.014 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.18 156.7 39.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 43' ' ' GLY . 42.3 t -57.66 111.07 2.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.288 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -55.93 -11.62 5.77 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.331 3.354 . . . . 0.0 109.604 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.529 HG21 ' CD1' ' A' ' 11' ' ' TYR . 48.4 t -84.01 -70.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.4 p -94.51 -45.7 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . 98.17 48.57 1.86 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.995 ' CB ' HG21 ' A' ' 8' ' ' VAL . . . -86.05 156.97 20.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.79 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 47' ' ' ASP . 22.0 p -53.23 135.48 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.046 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' CE ' ' HA ' ' A' ' 35' ' ' ASP . 14.2 ttpp -50.35 -21.82 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' N ' ' C ' ' A' ' 45' ' ' SER . 1.1 t70 -86.5 44.82 1.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.37 -44.2 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.373 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 6' ' ' CYS . 55.5 m-85 -59.14 150.15 26.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -145.02 123.6 12.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.602 ' O ' ' OXT' ' A' ' 52' ' ' GLN . 29.4 mtpt -39.75 106.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.75 ' HG3' ' OXT' ' A' ' 52' ' ' GLN . 24.4 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.537 0.208 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -82.92 56.57 3.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.08 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.442 HG22 ' OXT' ' A' ' 52' ' ' GLN . 19.7 mt -115.44 151.24 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -131.64 134.74 46.3 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.833 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.63 HG22 ' HA ' ' A' ' 12' ' ' GLU . 39.6 t -130.54 148.9 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.4 t -75.63 148.32 38.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.324 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 p -104.89 14.66 29.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.684 HG21 ' HB2' ' A' ' 44' ' ' ALA . 43.5 t -108.27 -45.91 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 p -117.73 -66.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.93 61.98 0.05 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 1.008 ' HB2' HG21 ' A' ' 41' ' ' VAL . 59.2 t80 -107.51 105.06 14.78 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.011 -0.595 . . . . 0.0 109.871 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.63 ' HA ' HG22 ' A' ' 5' ' ' VAL . 2.7 pt-20 -80.99 105.46 12.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' OH ' HD21 ' A' ' 33' ' ' LEU . 67.3 t80 -77.88 135.02 37.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.803 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.66 141.7 31.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -86.43 -24.79 1.47 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.325 3.35 . . . . 0.0 109.562 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.43 62.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -99.89 -46.0 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.05 -124.17 6.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.55 75.13 1.82 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.114 0.959 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 27.5 Cg_exo -63.28 178.69 1.08 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.369 3.38 . . . . 0.0 109.599 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER 74.96 -69.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 m -52.09 -72.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.763 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 172.58 47.41 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 23' ' ' GLY . 8.1 mm -135.88 139.24 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 145.12 30.06 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -46.4 125.43 9.05 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 124.293 3.329 . . . . 0.0 109.606 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.01 59.74 1.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.6 m -129.14 122.0 28.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.14 156.17 15.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' O ' HD12 ' A' ' 33' ' ' LEU . 76.4 t80 -78.29 -7.23 56.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.04 -21.03 17.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.35 2.18 53.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.465 HD21 ' OH ' ' A' ' 13' ' ' TYR . 45.2 mt -61.47 145.13 91.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -42.46 165.45 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.31 3.34 . . . . 0.0 109.607 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -98.26 22.58 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -148.81 20.43 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -85.54 143.81 28.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 107.965 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -150.06 153.52 36.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.428 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 49.4 t -42.99 100.78 0.23 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 14.1 Cg_exo -68.36 -2.93 9.95 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.325 3.35 . . . . 0.0 109.619 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.008 HG21 ' HB2' ' A' ' 11' ' ' TYR . 41.0 t -87.61 -66.56 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.8 p -101.23 -42.17 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.282 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.576 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.37 -31.4 2.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.684 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -26.13 135.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -54.13 -170.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -90.16 25.09 2.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -119.56 -5.47 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.583 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . . . -90.34 17.13 7.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 50.4 m-85 -114.89 152.06 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -161.85 145.77 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -40.22 102.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.442 ' OXT' HG22 ' A' ' 3' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.576 ' HB2' HD12 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.541 0.21 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -74.26 60.64 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.576 HD12 ' HB2' ' A' ' 1' ' ' MET . 5.8 mt -110.65 150.4 13.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -136.94 122.63 19.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.824 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 49' ' ' PHE . 7.6 p -117.53 145.36 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.8 t -75.23 147.71 40.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 p -102.75 14.55 31.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.671 HG21 ' HB2' ' A' ' 44' ' ' ALA . 40.0 t -108.5 -44.79 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 p -118.03 -66.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 108.251 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.12 62.95 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.908 ' CB ' HG21 ' A' ' 41' ' ' VAL . 18.2 t80 -112.49 88.83 2.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.003 -0.598 . . . . 0.0 109.827 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -56.4 104.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.637 ' OH ' HD21 ' A' ' 33' ' ' LEU . 60.1 t80 -71.79 140.97 49.68 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.863 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.91 141.62 41.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -87.21 -24.48 1.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.308 3.339 . . . . 0.0 109.632 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.25 -28.12 59.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -103.1 -40.72 6.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.88 -130.75 10.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -157.88 83.44 2.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.118 0.961 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.88 51.37 3.59 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.311 3.34 . . . . 0.0 109.616 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -131.82 -53.41 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 m -82.89 -52.18 6.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.533 ' O ' HD13 ' A' ' 24' ' ' ILE . . . 166.99 42.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.533 HD13 ' O ' ' A' ' 23' ' ' GLY . 27.3 mm -127.06 134.6 65.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' CB ' ' CD ' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -102.55 176.11 1.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 25' ' ' LYS . 13.8 Cg_exo -71.03 133.55 23.46 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.301 3.334 . . . . 0.0 109.56 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.51 49.43 3.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.1 m -125.74 122.99 37.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.76 . . . . 0.0 110.411 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -68.54 148.07 51.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -69.67 -5.64 26.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.59 -17.55 17.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -89.44 -1.02 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.637 HD21 ' OH ' ' A' ' 13' ' ' TYR . 50.2 mt -58.76 144.48 80.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.536 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 28.0 Cg_endo -62.7 163.13 22.49 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.3 3.333 . . . . 0.0 109.59 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 87.9 m-20 -90.94 88.58 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 3.8 m-20 156.5 -25.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.536 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . 79.2 t90 -48.12 134.19 14.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 107.968 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' ' CD ' ' A' ' 40' ' ' PRO . . . -138.47 155.5 48.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 45.9 t -44.64 101.59 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 108.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' CD ' ' O ' ' A' ' 38' ' ' ALA . 12.0 Cg_exo -69.69 -2.41 10.07 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.36 3.373 . . . . 0.0 109.608 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.908 HG21 ' CB ' ' A' ' 11' ' ' TYR . 44.3 t -87.88 -62.19 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.2 p -106.15 -40.66 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.3 -30.2 2.94 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.671 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -27.22 137.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 0.743 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -62.77 -171.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -90.87 35.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -117.01 -38.58 3.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -51.94 -62.28 1.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' ALA . 96.0 m-85 -35.73 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 52' ' ' GLN . 10.2 pt-20 -149.12 122.15 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -40.33 98.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' GLU . 6.0 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.552 0.215 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.47 83.45 0.76 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 mt -107.71 150.26 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -120.75 130.04 53.87 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.781 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.55 HG23 ' HG2' ' A' ' 52' ' ' GLN . 23.9 t -114.88 134.4 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.3 t -69.85 149.0 48.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.516 ' OG1' ' HB1' ' A' ' 48' ' ' ALA . 16.5 p -104.33 21.33 16.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.716 HG21 ' HB2' ' A' ' 44' ' ' ALA . 89.6 t -117.86 -47.05 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.27 -68.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 108.266 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' HG13 ' A' ' 5' ' ' VAL . . . 168.0 -54.2 0.22 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.885 ' CD1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 34.63 -150.3 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.0 -0.6 . . . . 0.0 109.84 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER 162.56 78.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.62 ' OH ' HD21 ' A' ' 33' ' ' LEU . 72.4 t80 -69.01 143.84 54.25 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.838 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -135.75 138.17 27.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.23 -38.26 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.334 3.356 . . . . 0.0 109.552 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.1 -26.97 63.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.87 -49.3 4.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 72.96 -153.48 48.61 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -133.51 77.4 65.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.086 0.946 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -70.78 54.96 1.64 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.299 3.333 . . . . 0.0 109.615 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -124.21 53.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.6 m 50.0 60.0 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.72 ' O ' HD13 ' A' ' 24' ' ' ILE . . . -174.94 -38.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.72 HD13 ' O ' ' A' ' 23' ' ' GLY . 13.5 mm -131.98 139.69 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.12 150.74 38.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -58.17 119.54 6.86 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.331 3.354 . . . . 0.0 109.572 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.43 59.61 1.08 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.5 m -125.75 132.49 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -71.71 157.75 37.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -78.69 3.5 16.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -109.01 -29.97 8.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -78.74 -3.7 45.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.62 HD21 ' OH ' ' A' ' 13' ' ' TYR . 58.0 mt -47.83 146.75 3.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.552 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 20.3 Cg_exo -32.6 -70.66 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.324 3.349 . . . . 0.0 109.591 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.552 ' CB ' ' O ' ' A' ' 34' ' ' PRO . 3.7 m-20 151.97 -49.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.11 23.74 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 77.3 t90 -79.19 139.05 38.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 108.01 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 43' ' ' GLY . . . -145.14 155.17 43.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 49.9 t -44.89 101.67 0.27 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.28 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -67.92 -2.3 8.45 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.324 3.349 . . . . 0.0 109.623 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.885 HG21 ' CD1' ' A' ' 11' ' ' TYR . 31.0 t -88.55 -65.12 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.44 ' SG ' HG11 ' A' ' 8' ' ' VAL . 26.3 p -104.08 -37.21 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.626 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.41 -28.48 3.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -20.58 127.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -55.1 -172.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HE2' HD12 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -92.4 34.23 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.52 -42.95 2.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.516 ' HB1' ' OG1' ' A' ' 7' ' ' THR . . . -41.91 -65.24 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' ALA . 87.6 m-85 -35.24 149.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' GLN . 9.1 pt-20 -148.22 122.6 9.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.44 98.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.662 ' OXT' ' CG ' ' A' ' 52' ' ' GLN . 1.2 pp0? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 stop_ save_