data_2kac_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 2kac _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 m . . . . . 0 C--O 1.238 0.469 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.4 m -123.17 131.79 53.82 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.542 1.937 . . . . 0.0 106.001 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.6 mt -126.08 131.76 71.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 124.695 1.198 . . . . 0.0 108.281 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' OE2' ' A' ' 21' ' ' GLU . 2.6 tppp? -92.48 120.53 33.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 126.12 1.768 . . . . 0.0 107.907 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.09 110.31 20.52 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -94.51 132.17 39.46 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mp -127.11 126.58 43.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 118.995 0.816 . . . . 0.0 110.662 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.86 131.69 66.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 125.443 1.497 . . . . 0.0 109.238 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -111.94 149.5 31.82 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.37 -12.92 61.42 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.071 0.462 . . . . 0.0 110.429 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -64.82 3.23 0.57 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.389 2.275 . . . . 0.0 112.788 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.33 36.02 46.18 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-N 120.35 1.432 . . . . 0.0 112.19 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 t -149.31 142.74 25.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.4 p -116.91 158.27 24.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.4 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -149.64 162.89 39.32 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.081 1.753 . . . . 0.0 106.907 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -146.19 151.78 38.17 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.59 148.47 44.19 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 105.707 -1.961 . . . . 0.0 105.707 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' OE2' ' HE2' ' A' ' 7' ' ' LYS . 91.8 mt-10 -133.42 114.06 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 -178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -107.4 149.11 28.26 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.286 1.034 . . . . 0.0 110.061 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -130.97 133.46 45.83 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 127.399 2.28 . . . . 0.0 107.087 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.56 -157.92 28.09 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -71.92 170.54 13.54 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.06 -17.26 56.87 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.357 1.063 . . . . 0.0 110.466 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -111.8 -27.21 8.58 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 118.848 0.749 . . . . 0.0 110.952 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.91 -21.77 43.54 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 118.888 0.767 . . . . 0.0 109.72 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.16 -8.4 39.53 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 120.874 -1.141 . . . . 0.0 110.02 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.2 m -102.13 -42.62 6.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.118 0.967 . . . . 0.0 110.888 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 t -75.58 -24.55 56.62 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 119.171 0.896 . . . . 0.0 110.807 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -73.22 -40.23 64.87 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.97 88.55 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.192 0.997 . . . . 0.0 110.454 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -72.21 -29.65 64.17 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.631 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -32.47 66.58 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -63.45 -38.43 91.11 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.0 66.54 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.501 -0.75 . . . . 0.0 109.913 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.04 -36.97 83.19 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.206 1.002 . . . . 0.0 110.197 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.46 11.11 7.42 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.133 0.973 . . . . 0.0 111.657 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.2 mt -120.76 -28.0 4.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.248 1.419 . . . . 0.0 109.557 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.46 -40.94 88.51 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.696 1.134 . . . . 0.0 110.113 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.94 -16.15 48.79 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.994 1.318 . . . . 0.0 112.285 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.25 7.34 11.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.195 1.798 . . . . 0.0 111.072 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -136.38 -83.93 0.37 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.104 0.962 . . . . 0.0 111.726 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.74 -175.39 43.9 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 127.666 2.555 . . . . 0.0 108.028 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -57.99 161.91 3.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 117.856 0.828 . . . . 0.0 110.704 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -142.92 165.38 27.52 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.002 0.906 . . . . 0.0 111.787 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.35 157.72 41.8 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.881 1.673 . . . . 0.0 108.652 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.0 p -140.87 136.6 34.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.504 0.669 . . . . 0.0 110.367 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.98 110.9 20.31 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 126.826 2.051 . . . . 0.0 107.338 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.3 132.76 31.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.18 176.19 9.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.125 1.37 . . . . 0.0 108.934 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 36.28 68.32 0.26 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 128.262 2.625 . . . . 0.0 111.993 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 50.86 24.64 1.85 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.969 2.108 . . . . 0.0 115.127 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.5 -15.8 61.54 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 118.72 -1.044 . . . . 0.0 112.118 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -73.74 -4.4 34.31 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.052 1.341 . . . . 0.0 112.833 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.1 m -132.75 121.92 23.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.5 mt -121.61 110.42 15.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -97.29 106.23 18.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 mt -103.67 130.87 53.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -132.96 120.86 21.97 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.613 1.165 . . . . 0.0 108.386 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.49 140.63 34.47 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.01 -48.72 28.19 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.394 1.078 . . . . 0.0 109.774 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.341 0 CA-C-O 115.698 -2.723 . . . . 0.0 112.274 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -132.39 103.82 6.39 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -107.59 128.41 62.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -100.92 131.61 46.72 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.973 1.309 . . . . 0.0 110.673 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.16 112.26 25.07 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.403 1.481 . . . . 0.0 107.11 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -86.6 120.67 28.17 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 101.377 -3.564 . . . . 0.0 101.377 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.6 mt -112.16 110.96 21.52 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.316 1.447 . . . . 0.0 110.47 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.28 136.8 58.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 O-C-N 121.101 -0.999 . . . . 0.0 108.876 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -128.28 147.1 50.58 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.98 -2.64 31.47 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.32 -12.8 15.17 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 126.675 1.99 . . . . 0.0 111.044 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.45 21.62 8.25 Favored Glycine 0 C--N 1.341 0.855 0 C-N-CA 126.153 1.835 . . . . 0.0 113.496 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -142.74 158.33 43.75 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.29 2.045 . . . . 0.0 114.77 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.8 p -122.59 143.88 49.46 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.941 2.096 . . . . 0.0 107.115 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -151.47 159.29 44.25 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.551 1.54 . . . . 0.0 107.608 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.9 m -147.06 144.72 29.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.34 155.21 48.77 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.812 1.245 . . . . 0.0 107.863 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -131.86 135.59 46.81 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -124.72 144.69 50.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.475 1.51 . . . . 0.0 108.206 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mp0 -127.84 155.13 44.61 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.617 1.167 . . . . 0.0 109.13 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.82 -160.34 27.03 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p -64.12 170.55 3.56 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -58.13 -43.92 87.52 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.772 -1.205 . . . . 0.0 111.585 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -77.78 -26.17 49.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.411 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -80.91 -24.13 38.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.011 1.278 . . . . 0.0 111.917 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.28 -7.27 58.63 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.133 -0.979 . . . . 0.0 109.351 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.3 m -108.23 -41.86 4.78 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.962 1.305 . . . . 0.0 111.709 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.6 t -73.79 -25.6 60.21 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.316 0.962 . . . . 0.0 111.456 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.06 -40.88 74.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.749 0.704 . . . . 0.0 109.783 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.05 -48.78 72.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 124.114 0.965 . . . . 0.0 110.578 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -70.47 -29.35 65.88 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 118.579 -1.249 . . . . 0.0 109.612 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.86 85.5 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.755 1.161 . . . . 0.0 108.838 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -66.97 -46.71 73.83 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.28 77.95 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.25 -0.906 . . . . 0.0 110.822 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -66.71 -28.4 68.41 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.168 1.387 . . . . 0.0 109.899 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -89.62 -1.16 57.94 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.743 1.156 . . . . 0.0 111.513 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.3 mt -104.23 -29.54 10.74 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.834 1.254 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -21.95 66.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.425 0.557 . . . . 0.0 110.419 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.18 -3.34 1.76 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 130.197 3.399 . . . . 0.0 112.558 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -148.4 -31.35 0.27 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.445 1.498 . . . . 0.0 112.047 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -82.14 -69.27 0.63 Allowed 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.34 -178.02 32.2 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 128.009 2.718 . . . . 0.0 107.069 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.16 162.03 20.68 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.346 1.07 . . . . 0.0 111.843 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -140.52 159.01 43.13 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.427 1.491 . . . . 0.0 111.59 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.9 p -116.38 161.66 18.72 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -141.62 153.15 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 O-C-N 121.41 -0.806 . . . . 0.0 109.906 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -133.32 119.0 19.17 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.196 1.398 . . . . 0.0 107.248 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.48 119.88 30.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.02 178.17 7.71 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.445 0.698 . . . . 0.0 109.71 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 48.02 53.19 11.95 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.917 1.687 . . . . 0.0 110.046 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 57.6 16.21 3.27 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.083 2.153 . . . . 0.0 113.835 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.81 -5.25 56.53 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.853 1.216 . . . . 0.0 111.536 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -77.69 -11.18 59.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.801 1.3 . . . . 0.0 111.335 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.3 m -133.94 122.47 23.15 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.195 0.998 . . . . 0.0 109.543 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.34 111.28 22.03 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -93.87 100.9 12.99 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.7 mt -99.0 134.83 36.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 124.655 1.182 . . . . 0.0 109.182 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -130.17 105.34 7.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.047 1.339 . . . . 0.0 110.255 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -77.19 117.97 19.24 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.64 -41.89 2.35 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.725 2.01 . . . . 0.0 114.614 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -178.57 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m -120.64 119.09 31.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 103.548 -2.76 . . . . 0.0 103.548 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -116.32 120.03 63.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -92.66 131.26 37.9 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.11 0.964 . . . . 0.0 109.916 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.61 122.3 42.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.871 1.668 . . . . 0.0 107.746 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -92.83 133.96 35.55 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -126.84 123.64 37.78 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.593 1.088 . . . . 0.0 112.188 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.39 132.24 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 127.247 2.219 . . . . 0.0 108.671 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -125.03 142.37 51.54 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.61 -11.07 21.98 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.6 1.16 . . . . 0.0 112.684 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -66.98 -7.22 20.77 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.842 0.857 . . . . 0.0 110.916 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.57 50.54 2.52 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 107.449 -2.26 . . . . 0.0 107.449 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 m -142.39 140.18 31.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.206 1.402 . . . . 0.0 111.339 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.3 p -135.36 127.35 29.63 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -139.88 166.75 23.8 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.145 2.178 . . . . 0.0 108.146 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.4 p -135.0 152.4 51.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.62 141.09 31.86 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -131.42 130.28 42.34 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -121.01 140.48 51.86 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -122.79 137.31 54.96 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.737 1.215 . . . . 0.0 108.175 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.05 -162.9 32.05 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 106.841 -2.503 . . . . 0.0 106.841 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 p -71.52 174.99 5.91 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 118.593 -1.243 . . . . 0.0 108.878 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -48.25 -49.35 33.67 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.703 0.801 . . . . 0.0 111.8 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -79.59 -26.93 41.15 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -78.55 -22.57 47.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.735 0.698 . . . . 0.0 110.489 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.27 -4.57 48.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.721 0.808 . . . . 0.0 110.367 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.4 m -107.97 -42.62 4.63 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.636 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -72.34 -24.71 61.33 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.404 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -67.49 -42.01 83.62 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.08 88.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.472 0.709 . . . . 0.0 111.113 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -73.07 -29.27 62.83 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.12 -40.15 53.48 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -58.36 -38.9 78.17 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.265 1.026 . . . . 0.0 108.804 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.65 63.36 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.722 -0.611 . . . . 0.0 112.028 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -68.99 -37.56 78.8 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.509 1.504 . . . . 0.0 108.403 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -11.93 61.24 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.493 1.117 . . . . 0.0 110.866 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -102.21 -26.03 13.48 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.87 1.268 . . . . 0.0 109.683 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.72 -44.6 93.12 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.466 1.506 . . . . 0.0 108.513 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.95 -11.16 25.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.554 1.542 . . . . 0.0 111.385 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -117.57 -9.6 10.77 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.211 1.404 . . . . 0.0 113.447 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -129.91 -71.95 0.59 Allowed 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.439 1.096 . . . . 0.0 112.781 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.83 -176.73 40.58 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 127.38 2.419 . . . . 0.0 108.581 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -61.88 163.86 7.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 122.146 0.974 . . . . 0.0 109.891 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -146.45 171.29 15.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.668 0.747 . . . . 0.0 111.868 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 p -130.45 168.71 16.57 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 127.173 2.189 . . . . 0.0 106.493 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.7 p -147.23 119.19 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 121.122 -0.986 . . . . 0.0 108.899 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.56 109.02 21.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.95 134.55 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.348 1.059 . . . . 0.0 109.91 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.85 171.36 14.16 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.598 1.159 . . . . 0.0 110.081 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 55' ' ' GLY . 5.7 m-20 50.31 49.54 20.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 125.792 1.637 . . . . 0.0 108.567 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 62.03 -10.32 0.08 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 128.332 2.653 . . . . 0.0 113.987 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 53' ' ' ASP . . . 143.0 -14.83 2.37 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.163 1.84 . . . . 0.0 112.401 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -69.09 -9.71 54.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.565 1.682 . . . . 0.0 113.876 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.5 m -133.25 113.87 13.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.2 mt -110.37 110.06 20.71 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -93.73 100.51 12.71 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.81 140.13 16.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -134.73 114.16 12.4 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 125.151 1.381 . . . . 0.0 108.042 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -90.63 144.94 25.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.934 1.243 . . . . 0.0 110.842 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.05 75.18 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.707 0.803 . . . . 0.0 109.989 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.918 0 C-N-CA 124.026 0.822 . . . . 0.0 111.187 179.65 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.28 137.44 51.78 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.8 mt -126.37 132.34 70.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 126.417 1.887 . . . . 0.0 106.738 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -110.67 109.43 19.69 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 120.983 -1.073 . . . . 0.0 108.994 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.04 109.1 21.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -90.68 133.96 34.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 103.733 -2.691 . . . . 0.0 103.733 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mp -123.85 134.32 53.61 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.157 0.89 . . . . 0.0 110.885 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -129.27 125.38 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 125.706 1.602 . . . . 0.0 108.21 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -110.23 143.22 40.71 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.95 -21.0 42.0 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -65.53 -12.59 54.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.837 1.255 . . . . 0.0 111.869 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.82 7.05 56.86 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 m -86.57 132.28 33.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.208 1.803 . . . . 0.0 106.526 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.6 p -132.25 150.57 52.13 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -144.0 153.31 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.53 0.732 . . . . 0.0 110.231 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 143.61 44.8 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 104.289 -2.486 . . . . 0.0 104.289 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.31 135.47 13.06 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -124.93 133.47 53.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -120.03 137.12 54.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -122.15 122.95 40.39 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.848 1.659 . . . . 0.0 107.035 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.66 -162.32 36.08 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 109.084 -1.607 . . . . 0.0 109.084 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.9 p -69.01 165.68 19.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -58.41 -35.75 72.53 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.259 -0.901 . . . . 0.0 110.114 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -83.42 -27.41 29.59 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 117.202 -1.38 . . . . 0.0 112.418 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -85.18 -23.84 28.17 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 120.842 1.655 . . . . 0.0 111.712 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.23 -4.19 54.74 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.499 -0.751 . . . . 0.0 109.364 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.4 m -108.17 -42.22 4.69 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.182 1.793 . . . . 0.0 109.861 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.2 p -72.36 -25.49 61.55 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 120.181 1.355 . . . . 0.0 111.137 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -74.16 -33.74 63.58 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.38 67.6 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.037 1.335 . . . . 0.0 111.264 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -71.38 -29.25 64.73 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.22 -48.15 71.52 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 120.933 -1.104 . . . . 0.0 109.105 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -57.95 -36.46 72.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.263 0.625 . . . . 0.0 109.519 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.16 61.73 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.223 -0.923 . . . . 0.0 111.847 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.03 -37.31 79.4 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.114 1.765 . . . . 0.0 112.339 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -73.01 -11.69 60.66 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.2 mt -101.86 -9.71 20.5 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.839 1.256 . . . . 0.0 110.901 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.09 -37.87 88.9 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.426 1.49 . . . . 0.0 109.611 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -73.0 -17.08 61.49 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.314 1.446 . . . . 0.0 111.996 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.22 -6.3 19.89 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.081 1.753 . . . . 0.0 111.638 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -138.69 -74.59 0.38 Allowed 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 120.747 -1.22 . . . . 0.0 109.748 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.15 -160.0 30.11 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -60.34 162.8 5.71 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.418 1.087 . . . . 0.0 110.654 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -157.96 169.58 24.26 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.401 1.08 . . . . 0.0 111.37 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.0 p -139.46 157.86 45.12 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.6 t -133.39 127.95 54.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 O-C-N 121.737 -0.602 . . . . 0.0 109.676 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -89.28 138.41 31.46 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 t -115.47 115.37 49.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.09 175.84 9.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.425 1.09 . . . . 0.0 108.974 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.19 39.36 28.88 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.061 0.945 . . . . 0.0 111.466 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 67.63 6.4 4.98 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.01 2.124 . . . . 0.0 110.831 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.19 -10.35 24.6 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.458 1.98 . . . . 0.0 110.976 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.47 -4.7 31.96 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.244 1.022 . . . . 0.0 111.69 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.1 m -131.76 101.33 5.42 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.09 110.66 22.99 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 103.743 -2.688 . . . . 0.0 103.743 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -99.21 97.31 8.41 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.3 mt -84.9 128.42 38.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.789 1.635 . . . . 0.0 108.73 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -134.03 121.74 22.0 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -78.97 144.64 34.57 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.0 82.02 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 126.143 1.777 . . . . 0.0 114.67 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.326 0 C-N-CA 124.601 1.096 . . . . 0.0 111.654 -179.416 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.5 m -116.48 115.08 25.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.7 mt -111.68 131.93 61.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 127.177 2.191 . . . . 0.0 107.536 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -114.44 131.37 56.63 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.649 1.18 . . . . 0.0 110.596 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.5 110.86 19.88 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -92.66 109.78 21.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 103.87 -2.641 . . . . 0.0 103.87 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.01 136.03 34.73 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 126.771 2.028 . . . . 0.0 109.202 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.3 mt -129.15 126.36 64.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 126.977 2.111 . . . . 0.0 106.741 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -119.22 138.76 52.75 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.77 -15.94 59.92 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.234 1.413 . . . . 0.0 109.789 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -60.59 -14.71 21.78 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 129.022 2.929 . . . . 0.0 112.332 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.22 35.2 4.26 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -152.74 175.51 12.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.227 -1.161 . . . . 0.0 111.463 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.3 p -142.63 161.18 38.75 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 128.434 2.694 . . . . 0.0 107.222 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -152.54 160.93 43.19 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.136 1.374 . . . . 0.0 107.697 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -130.22 145.79 51.77 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.46 147.38 43.18 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -139.88 137.85 35.2 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -128.99 134.38 48.14 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 125.574 1.55 . . . . 0.0 107.33 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -124.77 109.87 13.62 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.516 1.926 . . . . 0.0 106.451 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.54 -162.31 30.84 Favored Glycine 0 C--O 1.238 0.401 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.9 p -64.17 154.58 34.33 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 107.059 -1.459 . . . . 0.0 107.059 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -55.2 -34.03 63.56 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 120.826 -1.171 . . . . 0.0 111.241 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -80.75 -27.48 36.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.352 -0.832 . . . . 0.0 112.399 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -89.85 -24.26 21.45 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 119.128 0.876 . . . . 0.0 111.222 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.81 -12.51 59.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.366 -0.834 . . . . 0.0 109.043 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.3 m -103.27 -41.94 5.89 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.826 1.25 . . . . 0.0 108.624 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -68.34 -25.27 65.01 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 119.061 0.846 . . . . 0.0 110.94 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -85.86 -30.33 23.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.603 -0.686 . . . . 0.0 109.719 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.18 -46.72 82.75 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.299 1.04 . . . . 0.0 111.613 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -71.75 -30.62 65.79 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.132 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.67 74.0 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.171 0.51 . . . . 0.0 109.778 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -66.46 -33.85 76.61 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.409 -0.807 . . . . 0.0 109.187 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -44.78 46.46 Favored 'General case' 0 C--O 1.223 -0.332 0 O-C-N 121.377 -0.827 . . . . 0.0 109.084 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.92 -36.37 48.81 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 127.003 2.121 . . . . 0.0 115.238 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -65.25 -26.67 68.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.436 1.016 . . . . 0.0 111.025 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.05 -10.82 54.3 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 125.271 1.429 . . . . 0.0 110.657 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.95 -30.87 71.89 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.079 1.351 . . . . 0.0 111.066 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.33 -4.23 44.03 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.807 0.843 . . . . 0.0 111.83 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -123.32 -32.64 3.38 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.669 1.587 . . . . 0.0 113.064 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -114.59 -12.58 12.23 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.803 1.241 . . . . 0.0 112.937 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.72 -170.24 43.74 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 119.149 0.886 . . . . 0.0 111.303 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.68 159.76 8.22 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 122.805 1.288 . . . . 0.0 111.607 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -134.89 175.17 9.81 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 126.062 1.745 . . . . 0.0 109.661 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.0 p -130.12 148.71 51.99 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 128.018 2.527 . . . . 0.0 105.686 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -138.5 149.66 24.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -129.78 109.93 11.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.358 1.863 . . . . 0.0 106.772 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.51 101.8 8.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.65 179.36 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.152 1.381 . . . . 0.0 110.771 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t70 50.61 60.52 3.8 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.415 1.486 . . . . 0.0 111.219 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 57.46 3.55 0.18 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.973 2.109 . . . . 0.0 113.802 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.64 30.54 4.28 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.324 1.44 . . . . 0.0 110.637 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -125.68 5.61 7.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.806 1.303 . . . . 0.0 112.685 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.0 m -135.54 117.72 15.51 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.3 mt -117.43 110.54 18.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.7 114.45 26.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 102.376 -3.194 . . . . 0.0 102.376 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mt -112.26 127.9 69.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.681 1.592 . . . . 0.0 108.776 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -132.86 135.14 45.43 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.497 1.119 . . . . 0.0 109.308 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -98.53 146.44 25.78 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.134 1.374 . . . . 0.0 108.371 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.16 86.73 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 110.603 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.695 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.899 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -130.39 122.58 28.09 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 103.464 -2.791 . . . . 0.0 103.464 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mt -118.8 131.45 71.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 131.12 38.34 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.12 110.6 17.26 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.87 0.868 . . . . 0.0 110.334 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -91.75 128.25 37.52 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mp -127.49 134.15 49.82 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.6 125.86 62.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 124.483 1.113 . . . . 0.0 109.46 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -99.87 143.54 29.97 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.06 -9.96 44.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.558 0.743 . . . . 0.0 109.943 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -64.73 -18.16 64.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 128.995 2.918 . . . . 0.0 112.918 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.35 31.85 6.98 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 109.864 -1.295 . . . . 0.0 109.864 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.2 m -139.89 130.9 26.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.557 1.543 . . . . 0.0 108.89 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.1 p -113.41 158.09 21.09 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -146.7 145.45 30.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.126 -0.984 . . . . 0.0 110.466 -178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.95 135.92 40.64 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 126.403 1.881 . . . . 0.0 106.885 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.87 157.56 43.31 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -154.87 151.66 28.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -136.27 145.22 45.34 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 125.19 1.396 . . . . 0.0 108.454 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.04 125.9 32.58 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.176 1.79 . . . . 0.0 109.377 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.1 -163.59 36.92 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 107.075 -2.41 . . . . 0.0 107.075 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 p -67.8 170.5 7.91 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.116 -1.226 . . . . 0.0 109.343 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.76 -30.58 61.5 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.176 0.99 . . . . 0.0 110.39 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -96.78 -25.73 15.39 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 117.687 -1.149 . . . . 0.0 112.88 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -79.32 -21.11 46.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.417 1.008 . . . . 0.0 110.719 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.72 1.0 40.01 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.917 0.887 . . . . 0.0 112.887 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.0 m -107.16 -42.41 4.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 120.053 1.297 . . . . 0.0 114.398 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.3 m -71.74 -24.21 61.74 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 121.473 1.942 . . . . 0.0 109.364 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.15 -39.52 89.88 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.38 89.6 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.932 -0.48 . . . . 0.0 110.088 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -72.52 -29.56 63.7 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.79 -36.15 75.47 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -64.27 -34.78 78.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.12 -41.72 57.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.588 0.755 . . . . 0.0 109.32 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.97 -36.16 74.38 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 126.38 1.872 . . . . 0.0 112.015 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.0 t -73.3 -6.16 44.27 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.567 -0.708 . . . . 0.0 110.557 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.9 mt -111.35 -10.77 14.21 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.477 1.911 . . . . 0.0 109.439 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.16 -16.56 63.66 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.371 1.868 . . . . 0.0 109.895 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.89 -2.64 56.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.704 2.001 . . . . 0.0 111.001 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -126.27 -29.32 3.01 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.565 1.146 . . . . 0.0 112.296 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -114.54 -34.28 5.28 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.184 0.993 . . . . 0.0 113.039 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.43 -158.15 16.02 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 119.637 1.108 . . . . 0.0 111.188 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -52.19 155.62 1.91 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.994 1.318 . . . . 0.0 113.151 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -145.99 168.41 20.95 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.847 1.659 . . . . 0.0 110.47 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -131.41 160.14 35.95 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.23 1.412 . . . . 0.0 109.149 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.3 p -147.7 143.28 19.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 O-C-N 121.729 -0.607 . . . . 0.0 111.547 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.53 109.19 12.92 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -83.43 112.94 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 105.2 -2.148 . . . . 0.0 105.2 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.3 -179.27 5.41 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.007 0.523 . . . . 0.0 110.282 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.49 59.69 4.4 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 126.166 1.786 . . . . 0.0 108.974 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 52.74 21.54 1.95 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.745 1.218 . . . . 0.0 113.185 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.7 -8.43 65.98 Favored Glycine 0 CA--C 1.532 1.145 0 O-C-N 120.932 -1.105 . . . . 0.0 113.029 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -80.35 -11.86 59.66 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.153 1.381 . . . . 0.0 114.235 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.7 m -130.23 101.22 5.69 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -93.59 116.08 28.58 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -101.55 100.28 10.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.6 mt -103.52 136.94 34.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 126.338 1.855 . . . . 0.0 108.958 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -134.83 140.95 46.24 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.814 1.646 . . . . 0.0 109.264 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -101.39 146.56 27.43 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.723 -1.236 . . . . 0.0 108.797 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.78 -34.3 39.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.398 0.618 . . . . 0.0 110.087 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.601 0 C-N-CA 126.698 2.094 . . . . 0.0 112.825 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 m . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 m -118.99 110.85 17.6 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 mt -110.48 121.62 63.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.796 1.639 . . . . 0.0 107.726 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -105.8 110.14 22.34 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.233 1.413 . . . . 0.0 110.03 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.62 129.47 34.84 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 120.792 -1.192 . . . . 0.0 109.688 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -86.42 128.98 35.01 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -126.42 122.11 34.37 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mt -129.11 148.39 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -127.46 140.93 51.83 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.71 -20.32 64.78 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.626 1.57 . . . . 0.0 110.873 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -63.94 -17.23 63.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.167 1.387 . . . . 0.0 110.732 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.16 48.36 1.73 Allowed Glycine 0 C--N 1.338 0.665 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 m -135.48 155.99 49.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.099 0.959 . . . . 0.0 110.208 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -137.95 137.82 38.34 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.642 1.177 . . . . 0.0 109.458 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -141.02 166.54 24.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 127.107 2.163 . . . . 0.0 109.231 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.3 m -142.78 134.83 27.17 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 105.01 -2.219 . . . . 0.0 105.01 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.69 135.48 53.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 103.855 -2.646 . . . . 0.0 103.855 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -120.32 136.83 54.56 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -123.28 152.78 41.03 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.638 1.575 . . . . 0.0 108.433 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.99 166.13 23.1 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 127.79 2.436 . . . . 0.0 105.595 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.87 -172.81 14.42 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.5 p -62.9 158.58 18.73 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.35 0.595 . . . . 0.0 109.625 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -50.15 -51.27 44.9 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.422 1.089 . . . . 0.0 111.698 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -70.79 -25.44 62.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -82.58 -23.4 34.45 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.538 1.063 . . . . 0.0 110.903 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.07 0.99 56.24 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.393 -0.817 . . . . 0.0 109.557 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.1 m -108.4 -42.3 4.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.652 1.181 . . . . 0.0 109.995 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 p -70.22 -24.94 63.18 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.173 0.897 . . . . 0.0 111.859 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -85.22 -36.89 20.68 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.49 85.18 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.963 -0.46 . . . . 0.0 109.779 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -73.06 -29.59 63.08 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.957 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.59 -36.93 73.82 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.526 1.057 . . . . 0.0 109.969 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -63.21 -32.12 73.44 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.303 -0.873 . . . . 0.0 109.334 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.5 -40.31 61.88 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.873 0.869 . . . . 0.0 109.54 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.58 -29.96 64.88 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -71.8 -30.12 65.18 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.239 1.381 . . . . 0.0 109.926 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.5 mt -79.89 -10.21 59.75 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.935 1.294 . . . . 0.0 112.302 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.21 -43.49 94.87 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.071 0.949 . . . . 0.0 108.851 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.59 -11.39 43.84 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.371 1.468 . . . . 0.0 112.734 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -113.71 -3.88 13.48 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 125.25 1.42 . . . . 0.0 112.966 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -139.12 -64.46 0.5 Allowed 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 119.376 0.989 . . . . 0.0 110.532 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.47 -161.88 28.73 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 107.022 -2.431 . . . . 0.0 107.022 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -61.68 160.6 11.32 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.331 0.586 . . . . 0.0 110.492 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 48.9 p-90 -143.44 167.35 22.39 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.959 1.304 . . . . 0.0 109.212 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 p -123.18 161.1 25.14 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.746 1.218 . . . . 0.0 108.916 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -146.33 146.47 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-O 121.466 0.651 . . . . 0.0 109.788 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -136.65 120.23 17.13 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.259 1.423 . . . . 0.0 107.813 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.2 t -80.73 122.94 36.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.95 -175.9 4.69 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.862 0.865 . . . . 0.0 109.236 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 t70 52.97 48.48 22.33 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.55 1.54 . . . . 0.0 111.071 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 63.03 9.41 3.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.322 1.449 . . . . 0.0 112.218 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.48 0.13 53.33 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 126.112 1.815 . . . . 0.0 111.242 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.97 -22.21 29.25 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 119.435 1.617 . . . . 0.0 111.526 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 m -131.23 103.1 6.28 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.551 0.691 . . . . 0.0 111.065 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.03 131.16 36.79 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 128.678 2.791 . . . . 0.0 106.442 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.46 92.43 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.479 1.512 . . . . 0.0 108.583 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.1 mt -93.34 133.45 34.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -133.95 141.36 47.27 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.636 0.774 . . . . 0.0 109.443 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -97.31 165.38 12.05 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.213 0.205 . . . . 0.0 110.837 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.0 -16.25 7.09 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 117.573 -1.682 . . . . 0.0 109.785 -178.857 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.239 0.502 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -122.78 95.3 4.57 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.9 mt -91.54 132.36 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 128.165 2.586 . . . . 0.0 108.303 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -102.0 119.32 38.61 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.922 2.089 . . . . 0.0 113.488 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.19 110.23 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -89.89 115.79 27.47 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.7 mt -111.61 134.83 52.92 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.978 1.311 . . . . 0.0 109.591 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.66 108.87 14.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 C-N-CA 129.549 3.14 . . . . 0.0 107.981 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -92.61 149.92 21.04 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.53 -12.56 53.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.177 0.591 . . . . 0.0 109.877 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -69.98 -6.52 33.84 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.314 1.845 . . . . 0.0 110.162 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.03 51.62 5.29 Favored Glycine 0 C--N 1.337 0.587 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -156.44 132.66 9.91 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.124 1.77 . . . . 0.0 106.792 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.5 p -110.76 153.32 25.5 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -141.62 143.0 33.43 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.876 0.87 . . . . 0.0 109.428 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.53 147.62 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.49 146.98 24.03 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.87 149.77 51.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -127.07 134.19 50.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -111.81 109.7 19.66 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 126.358 1.863 . . . . 0.0 107.308 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.19 -172.25 44.74 Favored Glycine 0 C--N 1.332 0.31 0 O-C-N 121.584 -0.697 . . . . 0.0 111.455 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -64.18 171.58 2.93 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 122.003 0.906 . . . . 0.0 109.387 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -68.36 -7.08 28.11 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.319 -0.863 . . . . 0.0 111.793 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -116.31 -25.82 7.39 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.051 -1.031 . . . . 0.0 111.955 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -82.53 -9.62 59.33 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.91 1.232 . . . . 0.0 111.643 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.32 -17.22 11.36 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.5 m -80.41 -43.48 20.93 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.575 1.534 . . . . 0.0 110.886 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 m -72.86 -23.22 60.72 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 121.032 -1.042 . . . . 0.0 108.921 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.04 -45.95 69.14 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.76 96.17 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.496 0.589 . . . . 0.0 109.692 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -72.42 -29.97 64.19 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 122.169 -0.332 . . . . 0.0 110.525 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.82 64.92 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 120.666 -1.271 . . . . 0.0 108.163 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.11 -32.8 73.42 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.89 49.96 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.555 0.742 . . . . 0.0 109.262 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.13 -36.79 71.11 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.712 1.605 . . . . 0.0 111.499 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -74.61 -10.33 59.44 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.969 0.804 . . . . 0.0 111.447 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.0 mt -101.09 -23.41 14.49 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.027 1.331 . . . . 0.0 109.778 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.98 -35.19 76.15 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 127.412 2.285 . . . . 0.0 110.713 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.12 -14.04 43.73 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.114 0.966 . . . . 0.0 112.699 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.87 -1.7 8.85 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.293 1.437 . . . . 0.0 112.243 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -135.62 -14.49 1.91 Allowed 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.07 -173.77 41.52 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -56.28 160.62 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 126.472 1.909 . . . . 0.0 112.841 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -144.61 -179.42 6.55 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.571 1.548 . . . . 0.0 111.407 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.7 p -138.9 151.83 47.26 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.114 1.765 . . . . 0.0 107.993 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 p -141.17 128.16 21.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 119.304 0.957 . . . . 0.0 109.254 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -104.42 114.79 29.25 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 104.335 -2.468 . . . . 0.0 104.335 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.87 115.49 30.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.44 -175.84 4.07 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.214 1.006 . . . . 0.0 110.498 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 56.57 41.35 28.69 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 67.37 4.46 3.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.027 2.131 . . . . 0.0 111.829 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.87 3.71 19.69 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 126.63 2.062 . . . . 0.0 111.473 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -86.83 -2.18 58.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.706 1.253 . . . . 0.0 112.111 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.6 m -132.49 130.53 40.59 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.7 mt -124.6 109.87 13.73 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -104.34 95.13 5.73 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.6 mt -92.7 135.75 26.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 125.187 1.395 . . . . 0.0 110.767 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -134.94 123.09 22.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.246 1.018 . . . . 0.0 109.658 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -87.31 152.22 22.46 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.23 -40.09 62.65 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.211 0.605 . . . . 0.0 110.164 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.814 0 CA-C-O 118.078 -1.401 . . . . 0.0 111.164 179.578 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.236 0.356 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.2 m -129.13 108.15 10.14 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.0 mt -108.91 132.08 57.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 126.843 2.057 . . . . 0.0 108.941 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -105.1 131.56 52.44 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 123.891 0.876 . . . . 0.0 109.562 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.5 110.66 20.18 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -97.04 129.02 44.54 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 101.713 -3.439 . . . . 0.0 101.713 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mp -118.79 135.68 54.39 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.687 1.195 . . . . 0.0 110.338 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.03 129.72 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.866 1.666 . . . . 0.0 106.708 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -114.2 149.05 36.36 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.264 1.026 . . . . 0.0 110.711 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.63 -13.74 62.34 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -59.08 -19.07 40.95 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.955 2.502 . . . . 0.0 110.853 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.92 45.87 3.26 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.264 -1.535 . . . . 0.0 109.264 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 p -165.19 167.41 18.11 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.671 -0.9 . . . . 0.0 110.435 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.2 p -126.42 167.27 15.79 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.685 1.594 . . . . 0.0 108.74 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -148.69 166.24 28.95 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 126.663 1.985 . . . . 0.0 108.972 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -147.01 148.05 31.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.13 140.32 27.92 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -120.41 119.78 34.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -112.05 146.66 37.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -132.19 149.61 52.35 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 125.231 1.413 . . . . 0.0 108.018 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.9 -154.22 22.1 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.8 p -74.21 163.81 27.38 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.838 0.828 . . . . 0.0 109.787 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.9 -13.17 5.59 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.125 2.17 . . . . 0.0 113.648 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -115.65 -26.0 7.63 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 118.094 -0.955 . . . . 0.0 111.735 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -81.67 -24.43 36.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.139 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.38 -18.39 36.29 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 120.729 -1.232 . . . . 0.0 110.34 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.6 m -88.1 -38.78 15.11 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 m -68.55 -25.54 64.97 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.776 -0.631 . . . . 0.0 109.848 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.72 -35.85 60.14 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.69 98.42 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.092 0.86 . . . . 0.0 109.596 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -72.53 -29.36 63.52 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.126 0.57 . . . . 0.0 111.383 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.65 -43.73 53.9 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.566 0.746 . . . . 0.0 109.153 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -61.85 -39.48 92.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.767 1.227 . . . . 0.0 108.755 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.08 -18.7 60.78 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.859 -0.525 . . . . 0.0 111.502 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.56 -37.23 82.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.289 0.949 . . . . 0.0 110.685 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.21 1.44 11.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.095 0.958 . . . . 0.0 110.329 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -116.4 -27.49 6.77 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 126.284 1.833 . . . . 0.0 108.055 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.31 -48.97 75.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.384 1.447 . . . . 0.0 108.821 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.97 -9.66 55.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.897 0.879 . . . . 0.0 112.88 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -115.46 -14.62 11.55 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.245 -0.909 . . . . 0.0 113.327 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -121.35 -48.41 2.2 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.867 1.267 . . . . 0.0 111.663 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.11 -166.94 24.27 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.09 165.53 3.33 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 122.319 1.057 . . . . 0.0 110.622 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -143.29 169.18 18.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 122.285 1.041 . . . . 0.0 112.086 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.7 p -128.11 144.91 51.14 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.66 147.82 33.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 122.326 1.06 . . . . 0.0 109.197 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.44 138.1 47.5 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.975 2.51 . . . . 0.0 105.389 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.6 p -116.48 128.42 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.48 -177.16 5.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.42 1.088 . . . . 0.0 110.625 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 55.16 41.75 31.26 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.079 1.351 . . . . 0.0 110.872 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 66.39 10.7 7.47 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.976 2.11 . . . . 0.0 111.788 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.19 -7.36 30.76 Favored Glycine 0 CA--C 1.523 0.594 0 C-N-CA 125.279 1.419 . . . . 0.0 111.484 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -77.9 -7.77 57.18 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.493 1.146 . . . . 0.0 111.674 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.2 m -132.95 136.14 45.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 119.343 0.974 . . . . 0.0 108.647 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.3 mt -125.95 131.83 52.2 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 126.086 1.754 . . . . 0.0 107.07 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -112.7 116.15 29.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.2 mt -111.68 128.86 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.543 -2.392 . . . . 0.0 104.543 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -133.25 107.97 8.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -68.82 141.61 55.09 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.52 81.06 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.828 0.851 . . . . 0.0 112.52 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.349 0 C-N-CA 125.97 1.748 . . . . 0.0 109.432 -179.283 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.4 m -125.55 141.21 52.16 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.007 1.323 . . . . 0.0 111.018 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.7 mt -126.69 119.94 54.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.979 2.112 . . . . 0.0 108.664 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -100.57 109.44 21.53 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 123.779 0.831 . . . . 0.0 109.351 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.97 113.78 23.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -97.96 128.81 44.76 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 102.288 -3.227 . . . . 0.0 102.288 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -127.22 135.55 50.79 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.382 0.673 . . . . 0.0 110.66 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.5 mt -121.21 124.7 72.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 125.788 1.635 . . . . 0.0 106.955 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -101.18 151.11 22.24 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -16.01 61.66 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.674 0.749 . . . . 0.0 109.931 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -66.49 -3.75 6.89 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.414 2.286 . . . . 0.0 111.211 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.78 31.74 55.34 Favored Glycine 0 C--N 1.338 0.644 0 O-C-N 120.678 -1.264 . . . . 0.0 111.554 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.6 156.81 47.14 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.1 p -123.23 177.95 5.34 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -156.03 163.05 40.17 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 m -144.97 144.24 30.94 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.99 113.14 7.53 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -96.8 110.76 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -107.8 148.16 29.89 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 126.366 1.866 . . . . 0.0 109.582 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -132.38 161.19 34.23 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.835 1.254 . . . . 0.0 108.323 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.05 -150.75 20.05 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 106.67 -2.572 . . . . 0.0 106.67 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 p -73.21 167.4 21.25 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -62.15 -45.68 92.34 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.99 -1.068 . . . . 0.0 108.594 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -72.1 -26.15 62.03 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.352 1.461 . . . . 0.0 113.119 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -87.98 -23.15 23.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 118.994 0.815 . . . . 0.0 112.112 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.35 -17.54 24.54 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.336 0.517 . . . . 0.0 109.822 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.6 m -75.26 -42.1 55.85 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.24 -24.04 62.11 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.415 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -65.77 -46.39 78.95 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.35 83.86 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.396 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -73.06 -29.07 62.7 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.541 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.57 -46.01 60.62 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -59.77 -32.5 70.64 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.692 1.197 . . . . 0.0 109.225 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.88 -49.37 20.63 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.746 1.218 . . . . 0.0 109.665 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.41 -37.42 70.15 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.922 1.689 . . . . 0.0 113.567 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 t -71.22 -25.66 62.6 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.274 0.943 . . . . 0.0 110.533 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -86.16 -16.32 38.23 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.558 1.143 . . . . 0.0 111.471 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.03 -30.01 71.11 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.225 1.41 . . . . 0.0 110.237 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.61 -10.5 59.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.009 1.324 . . . . 0.0 111.689 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -115.96 -53.74 2.54 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 125.027 1.331 . . . . 0.0 113.397 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -79.36 -63.32 1.44 Allowed 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.236 -0.29 . . . . 0.0 110.721 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.43 -163.69 28.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.589 -1.804 . . . . 0.0 108.589 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.96 166.64 1.91 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.005 0.922 . . . . 0.0 112.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -156.27 167.9 28.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.617 1.167 . . . . 0.0 111.082 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.2 p -130.73 162.22 29.96 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.613 1.565 . . . . 0.0 107.088 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 p -143.37 137.04 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -120.31 114.51 21.97 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.0 t -80.31 114.84 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 125.0 1.32 . . . . 0.0 109.92 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.33 176.16 7.91 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.06 1.344 . . . . 0.0 110.046 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER 48.51 59.85 4.06 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 126.795 2.038 . . . . 0.0 110.392 179.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 63.4 -15.55 0.07 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.905 2.482 . . . . 0.0 113.982 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 53' ' ' ASP . . . 135.33 0.04 3.44 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 127.254 2.359 . . . . 0.0 111.654 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -82.62 -18.33 41.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.171 1.486 . . . . 0.0 112.142 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.3 m -124.05 101.23 7.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 119.907 1.23 . . . . 0.0 110.762 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.3 mt -93.03 110.29 21.76 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 102.195 -3.261 . . . . 0.0 102.195 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -92.9 92.91 8.11 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.1 mt -86.94 132.86 31.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 124.406 1.082 . . . . 0.0 108.112 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.49 109.48 9.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -70.43 147.0 49.97 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 121.886 -0.509 . . . . 0.0 110.366 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.01 -40.29 8.93 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.593 1.957 . . . . 0.0 106.987 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.1 m . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -123.2 125.88 45.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.126 -2.176 . . . . 0.0 105.126 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.5 mt -126.14 120.97 58.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -109.14 131.86 54.67 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 124.006 0.923 . . . . 0.0 110.864 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.11 110.48 22.76 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 126.634 1.974 . . . . 0.0 109.494 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -90.08 109.75 20.79 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 102.456 -3.164 . . . . 0.0 102.456 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -109.26 131.57 54.94 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.865 0.866 . . . . 0.0 112.746 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.2 122.64 54.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 128.745 2.818 . . . . 0.0 107.908 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -97.86 151.13 20.55 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.7 -10.2 50.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.68 0.392 . . . . 0.0 110.122 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -74.64 -10.24 59.35 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.978 1.311 . . . . 0.0 112.11 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.0 32.34 14.75 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 108.217 -1.953 . . . . 0.0 108.217 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.6 m -130.94 140.13 50.14 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 127.672 2.389 . . . . 0.0 107.134 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.1 p -122.92 169.34 11.24 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -150.36 148.99 29.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.813 0.845 . . . . 0.0 109.365 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -112.55 110.17 20.18 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.467 1.907 . . . . 0.0 106.221 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.18 143.36 46.41 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.67 158.42 44.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.42 -0.8 . . . . 0.0 110.027 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -137.73 153.4 49.76 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.823 1.249 . . . . 0.0 109.743 -178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -132.13 140.32 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.493 1.517 . . . . 0.0 107.443 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.1 -162.92 31.2 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.5 p -68.43 173.79 4.64 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 122.206 1.003 . . . . 0.0 108.731 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -68.33 -3.89 12.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.386 -1.446 . . . . 0.0 110.906 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -115.8 -4.29 12.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.811 1.644 . . . . 0.0 112.897 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -111.39 7.45 20.9 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.194 1.361 . . . . 0.0 113.722 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.33 -17.86 4.61 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.5 m -91.2 -42.55 10.36 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.88 1.673 . . . . 0.0 110.472 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -23.67 62.55 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -67.59 -49.51 62.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.41 94.11 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 118.902 -0.571 . . . . 0.0 110.864 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -72.36 -31.14 65.35 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.356 -0.83 . . . . 0.0 110.561 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.02 -44.25 55.12 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 120.0 1.273 . . . . 0.0 109.22 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -56.12 -43.39 78.1 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 124.934 1.293 . . . . 0.0 107.798 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.9 61.62 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 118.52 -0.752 . . . . 0.0 112.097 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.69 -34.72 77.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.541 1.064 . . . . 0.0 108.761 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -13.03 59.14 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.411 0.684 . . . . 0.0 110.292 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.2 mt -107.68 -9.47 15.83 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.357 1.863 . . . . 0.0 110.166 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.18 -42.9 99.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.99 -44.62 97.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.318 1.847 . . . . 0.0 110.544 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -77.49 -9.56 58.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.989 0.915 . . . . 0.0 112.803 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -133.35 -63.26 0.76 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.94 -178.69 31.49 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 128.207 2.813 . . . . 0.0 107.861 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -61.55 151.53 32.86 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 117.904 0.852 . . . . 0.0 110.425 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -124.67 171.57 9.96 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.886 1.274 . . . . 0.0 113.651 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 p -134.03 160.44 37.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.907 1.683 . . . . 0.0 108.168 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.3 145.97 18.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 O-C-N 121.432 -0.793 . . . . 0.0 109.612 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -118.6 108.73 15.31 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 105.31 -2.108 . . . . 0.0 105.31 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.7 t -81.0 114.54 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.82 -178.62 5.89 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.577 0.751 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.42 58.86 5.06 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 126.681 1.993 . . . . 0.0 111.177 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 59.77 17.1 6.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.888 2.075 . . . . 0.0 111.762 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.41 -4.88 67.25 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.682 2.087 . . . . 0.0 112.151 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -81.83 -12.67 58.4 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.8 m -120.4 102.91 8.79 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.0 mt -93.02 110.04 21.51 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 103.17 -2.9 . . . . 0.0 103.17 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -92.67 99.36 12.07 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.8 mt -98.04 134.63 35.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 123.372 0.669 . . . . 0.0 109.43 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -132.51 124.47 28.56 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.629 1.171 . . . . 0.0 108.323 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -89.96 163.41 14.96 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -118.88 -53.19 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.684 1.594 . . . . 0.0 110.534 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -178.715 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.233 0.221 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m -128.44 94.8 3.97 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.7 mt -93.33 131.06 41.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -104.33 124.71 49.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.39 110.45 22.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -86.84 135.1 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mp -125.56 135.24 52.02 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.099 0.959 . . . . 0.0 111.297 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mp -129.73 119.66 48.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 126.795 2.038 . . . . 0.0 106.712 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -102.18 148.05 25.89 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.6 -12.84 61.33 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.645 0.259 . . . . 0.0 110.62 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -75.45 25.59 0.1 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.425 2.29 . . . . 0.0 109.437 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.97 32.73 35.13 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 120.466 -1.396 . . . . 0.0 111.913 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -118.93 126.8 52.62 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.119 1.367 . . . . 0.0 110.511 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 p -110.35 138.01 47.31 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 126.261 1.824 . . . . 0.0 108.624 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -153.25 166.17 33.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.978 1.311 . . . . 0.0 109.058 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -146.68 152.26 38.57 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 120.269 -1.52 . . . . 0.0 107.769 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.73 147.13 51.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.309 -1.738 . . . . 0.0 106.309 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -132.09 136.77 47.4 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -125.63 163.61 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.834 1.254 . . . . 0.0 109.727 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -132.53 156.6 46.52 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 125.237 1.415 . . . . 0.0 107.808 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.0 -166.39 22.08 Favored Glycine 0 C--O 1.237 0.343 0 N-CA-C 108.704 -1.758 . . . . 0.0 108.704 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.7 p -68.59 161.42 28.05 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -51.87 -49.76 62.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.646 0.778 . . . . 0.0 112.769 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.14 -25.69 62.68 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 117.994 -1.003 . . . . 0.0 112.687 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -84.69 -23.11 29.54 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 120.485 1.493 . . . . 0.0 110.217 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.11 -18.38 55.75 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.012 -1.106 . . . . 0.0 108.012 177.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.9 m -86.6 -41.48 14.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.1 p -68.74 -25.4 64.72 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 119.418 1.008 . . . . 0.0 110.561 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -78.18 -48.48 15.77 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.451 1.1 . . . . 0.0 108.321 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.9 92.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.332 0.653 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -73.58 -30.94 63.32 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 118.976 -0.535 . . . . 0.0 110.717 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.6 -28.99 62.12 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.287 0.949 . . . . 0.0 108.841 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -68.87 -27.59 65.94 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.714 -1.241 . . . . 0.0 110.151 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.02 -28.38 61.41 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.992 -1.068 . . . . 0.0 108.822 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.95 -36.81 84.68 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.25 1.42 . . . . 0.0 111.204 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -79.33 8.76 5.54 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.146 -0.971 . . . . 0.0 111.296 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.8 mt -129.19 -18.24 3.71 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.277 1.431 . . . . 0.0 110.768 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -67.64 -53.79 25.03 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 126.491 1.916 . . . . 0.0 110.232 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -63.88 -14.85 56.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.562 0.745 . . . . 0.0 111.9 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -91.79 -49.64 6.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.823 1.249 . . . . 0.0 109.379 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -97.65 -76.32 0.52 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.695 1.198 . . . . 0.0 113.669 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.51 -176.1 47.89 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 126.611 2.053 . . . . 0.0 108.574 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -61.8 169.46 2.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 122.085 0.945 . . . . 0.0 111.425 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -145.54 166.43 25.72 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.74 0.816 . . . . 0.0 110.179 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.6 p -130.7 158.83 39.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 p -138.43 116.45 12.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.07 108.47 19.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.7 t -80.93 131.47 33.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 124.574 1.15 . . . . 0.0 108.41 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.96 172.89 12.06 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.585 1.154 . . . . 0.0 109.94 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 48.2 50.03 16.82 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 126.016 1.726 . . . . 0.0 109.806 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 59.2 9.6 1.4 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.881 2.073 . . . . 0.0 113.527 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.92 -8.23 16.62 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 126.367 1.937 . . . . 0.0 113.319 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -74.62 -5.97 45.98 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.121 1.461 . . . . 0.0 111.625 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.5 m -129.39 120.32 25.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 127.761 2.424 . . . . 0.0 105.956 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -125.98 110.0 13.09 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -100.43 94.59 6.24 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.668 0.787 . . . . 0.0 109.43 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -85.59 137.41 20.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 124.363 1.065 . . . . 0.0 109.286 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -134.96 120.5 19.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.421 1.088 . . . . 0.0 108.264 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -81.57 156.87 24.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.121 0.873 . . . . 0.0 109.249 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.15 -23.75 35.4 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 -179.291 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.439 ' HG1' ' HG2' ' A' ' 23' ' ' GLU . 21.4 m -124.29 132.11 53.55 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.6 mt -123.92 130.99 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -110.26 124.52 51.77 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.25 116.5 32.08 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -90.97 125.51 35.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -119.18 134.45 55.2 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.053 0.842 . . . . 0.0 109.276 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.06 117.55 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 125.217 1.407 . . . . 0.0 108.924 -178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -88.85 139.41 30.49 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.51 -12.86 48.75 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.706 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -62.62 -21.61 65.79 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.196 2.198 . . . . 0.0 111.046 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.62 19.19 9.42 Favored Glycine 0 C--N 1.34 0.762 0 CA-C-N 118.696 0.68 . . . . 0.0 112.469 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 p -133.71 141.91 47.75 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.389 1.076 . . . . 0.0 108.899 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -112.46 164.95 12.68 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -143.34 166.19 25.44 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.235 1.414 . . . . 0.0 109.188 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 p -126.89 152.36 47.19 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.756 1.222 . . . . 0.0 108.49 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.43 149.12 20.34 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -146.34 152.62 39.41 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.75 142.92 36.76 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HG2' ' HG1' ' A' ' 5' ' ' THR . 40.6 mt-10 -131.87 128.57 38.92 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.831 1.652 . . . . 0.0 108.23 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.54 -156.56 27.55 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.3 p -69.59 163.22 25.98 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 121.231 0.539 . . . . 0.0 109.626 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -50.55 -52.04 42.45 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.638 1.175 . . . . 0.0 113.344 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.36 -26.68 52.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.592 0.633 . . . . 0.0 111.331 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -72.25 -23.81 61.27 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 118.703 0.683 . . . . 0.0 112.087 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.32 -17.59 23.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.4 m -81.16 -42.52 20.73 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.281 -0.887 . . . . 0.0 109.408 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -67.89 -25.37 65.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.099 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -79.11 -43.55 23.85 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.93 -25.26 60.67 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.155 -0.926 . . . . 0.0 113.123 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -101.87 -30.8 11.05 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.402 1.001 . . . . 0.0 109.805 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.39 73.44 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.53 1.059 . . . . 0.0 109.847 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -62.76 -38.39 90.41 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.116 0.966 . . . . 0.0 109.012 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -44.02 54.45 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.971 0.908 . . . . 0.0 108.937 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -55.01 -36.71 65.74 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.753 1.621 . . . . 0.0 111.72 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -12.71 60.94 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.347 -0.846 . . . . 0.0 111.796 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.5 mt -113.27 -11.47 13.21 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.064 1.746 . . . . 0.0 110.287 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.37 -36.82 85.39 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 126.894 2.078 . . . . 0.0 108.956 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.31 -21.8 64.75 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.555 -0.715 . . . . 0.0 110.033 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.15 -1.19 23.98 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.498 1.519 . . . . 0.0 114.614 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -145.52 -8.84 0.57 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 117.541 -1.219 . . . . 0.0 114.127 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.08 -167.19 39.52 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 120.934 1.697 . . . . 0.0 111.021 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -55.25 157.31 3.65 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.014 1.726 . . . . 0.0 112.714 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -150.33 167.0 28.32 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 125.713 1.605 . . . . 0.0 107.94 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.27 158.36 39.98 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 124.379 1.072 . . . . 0.0 108.371 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.44 141.69 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -118.24 129.74 55.65 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.8 t -95.09 128.89 45.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 123.853 0.861 . . . . 0.0 110.562 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.43 172.68 12.37 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.035 1.334 . . . . 0.0 108.616 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 51.19 44.53 28.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.529 1.532 . . . . 0.0 111.631 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 58.84 15.66 3.99 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.447 1.899 . . . . 0.0 112.379 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.44 -10.37 28.46 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-O 118.364 -1.242 . . . . 0.0 113.017 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -74.68 -15.78 60.79 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 120.082 1.941 . . . . 0.0 111.527 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.5 m -122.6 120.4 33.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.2 mt -120.25 110.25 16.36 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -95.99 101.77 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.3 mt -100.04 139.91 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 125.007 1.323 . . . . 0.0 107.865 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.21 125.29 27.49 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -84.79 149.81 25.48 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.71 -29.43 19.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 C-N-CA 126.685 2.088 . . . . 0.0 110.089 -179.067 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.441 -0.911 0 N-CA-C 102.715 -3.068 . . . . 0.0 102.715 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 m -100.32 98.02 8.72 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mt -98.24 111.45 27.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -92.7 131.08 38.09 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.221 1.408 . . . . 0.0 108.492 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.41 115.94 28.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.972 1.709 . . . . 0.0 108.334 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.35 133.92 35.03 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 mt -124.75 129.53 50.66 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -127.89 112.64 28.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -92.34 148.84 21.81 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.57 -20.89 66.12 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -76.81 -7.58 55.71 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.316 -0.85 . . . . 0.0 112.479 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.66 72.79 1.28 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -160.58 122.25 3.09 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.409 1.884 . . . . 0.0 106.913 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.9 p -114.44 140.79 48.41 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.381 0.537 . . . . 0.0 110.487 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -142.99 166.83 23.56 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.324 1.849 . . . . 0.0 110.798 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -136.83 135.45 37.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.453 1.901 . . . . 0.0 106.255 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.97 150.2 52.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -144.18 132.37 21.8 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -115.59 156.71 25.3 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.048 1.339 . . . . 0.0 109.766 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -132.39 139.26 48.01 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.23 -156.74 27.32 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 107.465 -2.254 . . . . 0.0 107.465 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.532 ' H ' ' HB3' ' A' ' 28' ' ' GLU . 28.0 p -89.31 176.09 7.08 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.848 1.259 . . . . 0.0 109.122 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -63.72 -17.38 62.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.227 0.611 . . . . 0.0 110.623 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -105.09 -16.12 14.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.999 1.32 . . . . 0.0 111.654 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HB3' ' H ' ' A' ' 25' ' ' THR . 26.7 tt0 -104.1 -20.9 13.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 117.343 -1.313 . . . . 0.0 113.456 -177.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.17 -13.22 19.85 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.59 1.541 . . . . 0.0 114.49 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -92.74 -43.01 9.27 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.228 1.377 . . . . 0.0 113.847 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -23.89 61.86 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.86 -37.62 88.24 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.57 -37.29 62.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.373 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -72.22 -31.05 65.5 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.273 0.942 . . . . 0.0 108.717 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.88 -28.91 62.78 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -72.44 -33.03 66.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.58 -30.28 61.65 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.871 -1.143 . . . . 0.0 110.055 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -58.63 -36.84 74.72 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.869 0.868 . . . . 0.0 111.992 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 t -71.31 -18.55 62.4 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.838 -1.164 . . . . 0.0 110.495 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.3 mt -96.44 -28.92 14.21 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 124.811 1.244 . . . . 0.0 110.68 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.41 -41.03 96.5 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.18 1.392 . . . . 0.0 109.899 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.52 2.27 1.36 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.219 1.807 . . . . 0.0 113.162 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -140.19 -30.56 0.67 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 120.939 -1.1 . . . . 0.0 113.275 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -95.74 -55.04 3.14 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.018 0.927 . . . . 0.0 111.695 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.18 -177.81 26.19 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.22 165.94 12.9 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -146.08 159.74 42.86 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.087 -1.008 . . . . 0.0 111.666 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.0 p -115.2 162.13 17.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.8 p -146.11 135.0 16.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.856 0.836 . . . . 0.0 109.186 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -111.29 109.02 18.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.8 t -87.42 123.93 40.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 125.508 1.523 . . . . 0.0 108.163 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.29 -175.78 4.67 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 124.876 1.27 . . . . 0.0 110.028 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t0 52.79 53.89 11.42 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.703 1.601 . . . . 0.0 110.729 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 58.77 16.97 4.81 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.251 1.02 . . . . 0.0 111.356 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.63 -1.97 64.33 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.516 1.531 . . . . 0.0 112.299 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -78.05 -5.43 51.4 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.4 1.6 . . . . 0.0 112.282 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.6 m -128.63 122.87 31.85 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -117.48 111.2 18.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -102.31 104.71 15.25 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.4 mt -97.5 141.38 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 124.656 1.182 . . . . 0.0 108.262 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -134.14 113.89 12.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -75.36 133.27 41.26 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.83 80.05 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.312 1.045 . . . . 0.0 109.758 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.863 -2.076 . . . . 0.0 109.767 179.809 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -114.45 102.67 10.3 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -103.75 127.24 58.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -98.51 131.74 44.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.5 1.52 . . . . 0.0 112.204 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.28 110.94 20.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.353 1.461 . . . . 0.0 108.223 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -92.66 132.17 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mp -127.92 135.96 50.7 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.737 0.815 . . . . 0.0 109.639 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -127.07 125.9 67.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.6 141.65 32.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.18 1.392 . . . . 0.0 107.426 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.58 65.9 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.87 0.868 . . . . 0.0 110.136 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -60.03 -23.01 63.36 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.647 1.179 . . . . 0.0 111.36 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.03 47.33 1.26 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -158.45 157.49 32.32 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 125.023 1.329 . . . . 0.0 107.441 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p -130.08 173.26 10.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.946 0.898 . . . . 0.0 109.922 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -140.7 153.76 46.07 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 121.37 -0.831 . . . . 0.0 109.481 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -119.64 129.41 54.58 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.48 141.93 26.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -142.07 138.61 31.87 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -127.25 148.5 50.21 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.048 1.739 . . . . 0.0 108.993 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -122.94 149.41 44.3 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.638 1.175 . . . . 0.0 108.379 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.62 -161.08 28.35 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 p -70.04 165.88 20.93 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -61.42 -20.46 63.1 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.901 -1.124 . . . . 0.0 110.905 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -94.34 -11.84 29.2 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.861 1.664 . . . . 0.0 112.379 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -113.74 -23.32 9.75 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.81 -8.98 59.74 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.296 -1.502 . . . . 0.0 110.804 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -103.13 -41.55 6.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.596 1.559 . . . . 0.0 109.746 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -68.34 -25.0 64.88 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.398 0.999 . . . . 0.0 110.909 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.71 -37.98 82.99 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.68 -43.42 89.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.889 -0.507 . . . . 0.0 110.176 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -72.38 -29.9 64.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.854 0.752 . . . . 0.0 109.804 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.57 68.42 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -76.0 -31.86 59.14 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.086 -1.008 . . . . 0.0 109.359 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.21 62.42 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.736 -1.228 . . . . 0.0 109.892 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.51 -38.33 74.27 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.554 1.541 . . . . 0.0 113.01 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -69.14 -23.81 64.02 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.433 0.56 . . . . 0.0 109.89 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.92 -6.36 39.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.648 1.579 . . . . 0.0 112.129 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -69.62 -53.44 18.74 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.222 1.009 . . . . 0.0 108.439 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.01 -21.43 66.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.501 1.12 . . . . 0.0 112.044 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -87.55 -21.87 25.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.388 1.075 . . . . 0.0 112.578 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -131.85 -70.89 0.56 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 119.157 0.889 . . . . 0.0 113.144 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.57 -176.05 46.21 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.74 163.07 7.77 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.658 0.783 . . . . 0.0 111.2 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -150.33 170.08 19.87 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.471 -0.768 . . . . 0.0 112.311 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.6 p -135.47 163.39 30.16 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.224 1.81 . . . . 0.0 108.082 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 p -145.04 146.24 20.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 O-C-N 121.441 -0.787 . . . . 0.0 110.842 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -126.67 114.42 18.0 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.485 1.914 . . . . 0.0 108.83 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -81.04 133.79 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 124.751 1.221 . . . . 0.0 109.763 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.38 178.95 7.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.188 1.395 . . . . 0.0 110.184 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.7 t0 47.09 63.03 2.1 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 127.15 2.18 . . . . 0.0 112.965 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 57.24 6.01 0.32 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.133 1.373 . . . . 0.0 113.15 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.32 0.17 33.11 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.506 1.527 . . . . 0.0 111.145 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -81.44 -7.89 59.65 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.923 1.862 . . . . 0.0 112.063 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -127.69 132.97 49.59 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.541 1.136 . . . . 0.0 108.843 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -126.09 110.42 13.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 178.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -98.82 95.07 6.95 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mt -90.18 140.38 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 126.026 1.731 . . . . 0.0 108.391 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -134.31 124.58 26.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.208 1.803 . . . . 0.0 109.729 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -86.01 141.7 29.29 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.992 1.269 . . . . 0.0 108.676 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.41 -46.46 69.9 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.552 0 C-N-CA 124.645 1.117 . . . . 0.0 111.874 179.242 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.743 0.306 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -132.92 124.09 27.19 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 105.007 -2.219 . . . . 0.0 105.007 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.9 mt -126.06 118.51 51.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -92.8 109.36 20.79 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 121.246 -0.909 . . . . 0.0 108.723 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.55 117.39 24.42 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -96.99 131.65 43.59 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp -127.28 135.17 50.21 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.201 1.4 . . . . 0.0 110.374 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.3 mt -121.72 116.19 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 125.592 1.557 . . . . 0.0 108.015 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -100.77 145.32 28.66 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.95 -12.09 60.05 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -64.29 -4.72 4.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.71 2.004 . . . . 0.0 111.005 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.24 36.23 10.09 Favored Glycine 0 C--N 1.338 0.676 0 CA-C-N 119.004 0.82 . . . . 0.0 111.553 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -152.06 146.48 25.57 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 118.002 0.901 . . . . 0.0 109.529 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -112.64 140.25 47.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.481 1.513 . . . . 0.0 107.328 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -129.74 155.9 45.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -142.9 144.38 32.41 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.91 156.14 49.49 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -129.01 111.47 13.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.75 152.24 21.47 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.004 1.322 . . . . 0.0 109.391 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -132.97 166.52 22.18 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.732 1.613 . . . . 0.0 109.404 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.69 -162.13 20.88 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 107.771 -2.131 . . . . 0.0 107.771 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 p -75.35 168.06 20.71 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.516 1.658 . . . . 0.0 107.833 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -46.86 -50.24 18.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.128 1.371 . . . . 0.0 114.177 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -76.17 -26.99 56.77 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 117.899 -1.048 . . . . 0.0 113.54 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -86.41 -23.56 26.05 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.606 1.093 . . . . 0.0 110.965 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.3 -17.41 49.38 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -92.02 -40.48 11.07 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.692 1.197 . . . . 0.0 108.369 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -67.73 -25.38 65.62 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.293 -0.88 . . . . 0.0 112.197 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -74.75 -27.85 60.52 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.842 -0.536 . . . . 0.0 109.604 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.2 72.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -71.46 -31.4 67.12 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.54 81.23 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 120.114 1.325 . . . . 0.0 111.176 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -71.79 -39.55 69.84 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 121.308 -0.87 . . . . 0.0 111.055 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.73 -32.47 62.14 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.247 0.93 . . . . 0.0 110.492 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -59.58 -29.26 67.84 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 127.892 2.477 . . . . 0.0 113.036 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 t -92.15 0.55 57.46 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.651 0.78 . . . . 0.0 111.152 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -116.42 2.5 13.16 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.218 1.407 . . . . 0.0 112.746 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -68.58 -41.48 79.6 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.982 0.81 . . . . 0.0 109.51 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -68.95 -21.88 64.16 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.099 -1.0 . . . . 0.0 110.465 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -86.32 -11.31 52.49 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 126.227 1.811 . . . . 0.0 110.845 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -140.8 -89.19 0.16 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.284 1.034 . . . . 0.0 108.388 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.02 -172.54 45.38 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 107.628 -2.189 . . . . 0.0 107.628 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.63 162.16 13.53 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.756 0.789 . . . . 0.0 110.814 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -141.11 170.12 16.32 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.883 1.273 . . . . 0.0 111.046 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 p -125.75 155.02 41.65 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 127.787 2.435 . . . . 0.0 106.452 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.83 135.23 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.807 0.813 . . . . 0.0 110.854 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.45 117.54 25.38 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.8 t -92.51 131.71 38.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 C-N-CA 124.879 1.272 . . . . 0.0 108.08 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.98 178.64 7.38 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 125.632 1.573 . . . . 0.0 110.096 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 55' ' ' GLY . 3.2 t70 51.89 53.73 12.1 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.488 1.515 . . . . 0.0 111.357 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 63.89 -7.26 0.21 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.047 1.739 . . . . 0.0 113.451 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 53' ' ' ASP . . . 130.09 -5.64 6.04 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 126.955 2.216 . . . . 0.0 111.445 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -80.57 -8.78 59.72 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.839 1.255 . . . . 0.0 113.497 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -124.54 124.74 42.92 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.8 mt -126.02 118.87 26.24 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 126.401 1.88 . . . . 0.0 106.179 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -106.48 103.85 13.41 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.2 mt -99.0 111.24 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -112.62 117.97 33.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -82.21 129.14 34.76 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.32 -18.41 65.16 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.8 -2.111 . . . . 0.0 110.175 -179.025 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.408 0.623 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 m -90.6 124.56 35.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.2 mt -126.43 103.7 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -93.24 110.37 21.89 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.43 135.07 34.35 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.184 0.994 . . . . 0.0 110.152 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -102.68 125.92 49.59 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -127.27 124.63 39.27 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mp -119.59 121.55 66.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 125.64 1.576 . . . . 0.0 108.383 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -97.69 137.52 36.47 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.73 -14.47 52.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.109 1.364 . . . . 0.0 111.67 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -62.06 -19.14 62.6 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 127.488 2.315 . . . . 0.0 111.519 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.51 47.35 1.06 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -147.67 159.27 43.98 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.773 -1.428 . . . . 0.0 110.236 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.4 p -138.14 137.45 37.68 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.348 1.459 . . . . 0.0 107.506 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -134.92 166.29 23.36 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.277 1.031 . . . . 0.0 109.638 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.6 125.24 19.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.98 157.91 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.76 145.83 30.08 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.442 -0.786 . . . . 0.0 109.334 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -122.85 153.86 39.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 124.966 1.306 . . . . 0.0 110.151 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -133.04 109.51 9.58 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 126.139 1.776 . . . . 0.0 106.27 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.14 -173.6 44.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.6 p -72.91 169.06 17.66 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.396 1.098 . . . . 0.0 110.246 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -59.09 -19.17 41.94 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -104.93 -6.3 20.25 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.29 1.036 . . . . 0.0 111.742 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -113.92 -24.18 9.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.524 -178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.22 -18.59 38.71 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.77 -1.206 . . . . 0.0 109.752 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.8 m -90.15 -28.23 19.07 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.032 -1.043 . . . . 0.0 108.195 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.0 t -67.45 -26.13 66.24 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -84.64 -41.97 15.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.15 62.21 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.498 -0.763 . . . . 0.0 112.636 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -94.73 -30.0 14.5 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.718 1.145 . . . . 0.0 110.771 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.58 -37.33 73.93 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.785 1.175 . . . . 0.0 110.065 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -62.14 -31.87 72.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.752 1.221 . . . . 0.0 110.028 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.36 -27.08 60.51 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.635 -0.666 . . . . 0.0 110.522 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.15 -36.85 80.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.32 1.048 . . . . 0.0 113.193 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -68.63 -26.49 65.37 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.583 0.706 . . . . 0.0 109.931 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.6 mt -86.38 -15.13 41.37 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.548 1.139 . . . . 0.0 110.878 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -67.25 -36.18 81.09 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.315 1.046 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -75.33 -1.6 24.47 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.142 -0.974 . . . . 0.0 111.542 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -117.79 -37.04 3.51 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.468 1.507 . . . . 0.0 112.125 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -113.69 -16.76 12.26 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.626 1.17 . . . . 0.0 113.822 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.89 -165.77 32.13 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -54.72 152.59 6.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.666 1.222 . . . . 0.0 111.741 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -141.06 167.48 22.08 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.24 1.416 . . . . 0.0 109.769 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.6 p -129.45 161.16 31.02 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.815 1.246 . . . . 0.0 109.259 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -146.05 151.93 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-O 121.472 0.653 . . . . 0.0 109.623 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -126.2 118.7 25.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.8 t -98.53 120.17 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.39 -174.31 4.09 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 48.97 54.17 11.33 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.58 1.152 . . . . 0.0 109.346 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 54.84 9.54 0.3 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.698 1.999 . . . . 0.0 114.235 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.2 -10.04 28.99 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.289 1.423 . . . . 0.0 113.164 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -75.69 -14.47 60.35 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 118.56 1.18 . . . . 0.0 111.341 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.9 m -123.72 116.8 23.64 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.47 110.08 16.99 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -100.85 91.82 4.78 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mt -87.43 128.97 39.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -131.06 120.49 23.49 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -78.35 153.34 31.74 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.453 0.701 . . . . 0.0 109.674 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.88 -44.82 60.85 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.454 0.701 . . . . 0.0 110.864 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 C-N-CA 125.612 1.577 . . . . 0.0 111.594 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.235 0.342 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -127.28 95.92 4.42 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.6 mt -93.36 131.56 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 126.846 2.058 . . . . 0.0 109.338 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -101.53 131.48 47.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.7 110.79 23.26 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 126.148 1.779 . . . . 0.0 106.743 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -98.54 124.2 43.16 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -127.17 135.21 50.37 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.38 1.072 . . . . 0.0 112.061 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.36 133.71 63.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 126.933 2.093 . . . . 0.0 108.81 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -113.0 143.22 44.68 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.78 -14.04 49.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.826 1.251 . . . . 0.0 110.903 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -67.0 -19.81 65.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.187 2.195 . . . . 0.0 111.636 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.57 -4.44 37.16 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.934 1.254 . . . . 0.0 112.528 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -99.14 157.16 16.55 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.436 1.095 . . . . 0.0 108.551 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -138.34 171.03 14.99 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.5 0.667 . . . . 0.0 109.309 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.32 166.12 34.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 121.218 -0.926 . . . . 0.0 109.471 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 m -146.45 142.79 28.48 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.14 163.98 32.02 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -148.28 143.08 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -126.51 148.95 49.63 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.717 1.607 . . . . 0.0 107.888 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.06 113.92 14.53 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.42 -161.42 28.09 Favored Glycine 0 C--O 1.24 0.521 0 CA-C-N 118.573 0.624 . . . . 0.0 111.594 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.2 p -67.16 162.81 21.6 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -64.05 -8.87 13.17 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.312 1.045 . . . . 0.0 112.215 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -115.26 -27.51 7.23 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.981 1.313 . . . . 0.0 111.65 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -81.63 -23.76 36.78 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 119.151 0.887 . . . . 0.0 109.846 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.87 -18.44 32.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.1 m -77.77 -41.73 36.49 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -69.44 -25.79 64.28 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 118.907 -1.117 . . . . 0.0 109.832 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.03 -46.04 31.34 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.59 -41.74 66.91 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.068 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -85.1 -31.2 23.47 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.079 0.854 . . . . 0.0 110.705 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.19 71.16 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.544 1.066 . . . . 0.0 111.181 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -68.55 -35.98 78.17 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.306 -0.871 . . . . 0.0 109.254 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -43.2 55.8 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -57.91 -37.08 73.4 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.486 1.114 . . . . 0.0 111.309 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -1.23 23.26 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.171 -0.956 . . . . 0.0 113.307 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.7 mt -126.86 -0.7 6.64 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.631 1.572 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -61.16 -53.06 61.74 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.9 1.68 . . . . 0.0 109.63 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -49.14 -45.83 44.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.477 1.511 . . . . 0.0 113.133 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.77 -17.6 60.61 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.136 1.374 . . . . 0.0 114.358 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -117.82 -57.88 2.07 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.78 -168.02 25.41 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 129.198 3.285 . . . . 0.0 106.94 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.71 170.3 2.05 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.707 0.765 . . . . 0.0 111.447 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -149.49 160.82 43.14 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.296 -0.877 . . . . 0.0 110.192 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.0 p -119.37 160.51 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.421 1.489 . . . . 0.0 108.131 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.2 t -139.75 131.65 33.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.15 123.29 49.26 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -80.16 131.74 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.938 1.295 . . . . 0.0 110.177 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.23 166.45 24.67 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 127.065 2.146 . . . . 0.0 110.105 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 46.21 50.72 11.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.857 2.463 . . . . 0.0 110.867 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 61.81 -6.23 0.13 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.927 2.091 . . . . 0.0 114.489 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.92 -10.75 3.93 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 126.74 2.114 . . . . 0.0 112.383 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -77.24 -7.9 56.7 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.8 m -132.46 95.05 3.54 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.1 mt -93.32 110.38 21.91 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -96.83 104.59 16.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mt -95.12 140.79 16.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -132.68 113.13 12.63 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.71 155.06 40.79 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.75 -40.6 20.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.11 0.964 . . . . 0.0 111.529 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 C-N-CA 124.604 1.097 . . . . 0.0 111.745 -179.621 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 C--O 1.232 0.143 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m -114.83 93.34 4.28 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.4 mt -91.07 131.85 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 121.292 -0.88 . . . . 0.0 108.81 -177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -102.65 131.97 49.07 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.373 1.869 . . . . 0.0 110.345 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.82 118.56 29.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -99.36 114.41 27.29 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 103.479 -2.785 . . . . 0.0 103.479 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -103.95 134.56 47.04 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 124.206 0.941 . . . . 0.0 110.174 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.55 133.34 67.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 126.905 2.082 . . . . 0.0 106.988 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -118.47 143.4 46.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.016 1.326 . . . . 0.0 107.673 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.43 -12.9 59.6 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.427 0.632 . . . . 0.0 109.75 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.08 -0.29 7.41 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.069 2.147 . . . . 0.0 110.814 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.7 22.49 61.8 Favored Glycine 0 C--N 1.342 0.874 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -114.1 145.61 41.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.846 1.659 . . . . 0.0 108.257 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.4 p -141.68 138.8 32.71 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -147.32 143.11 27.81 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.669 -0.644 . . . . 0.0 110.388 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 p -89.05 152.09 21.87 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.65 140.67 20.24 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -140.2 140.4 35.85 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -131.02 138.59 49.71 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.726 1.61 . . . . 0.0 107.082 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -124.42 114.23 19.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.714 1.206 . . . . 0.0 108.469 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.83 -165.5 31.84 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 107.658 -2.177 . . . . 0.0 107.658 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.0 p -67.9 173.93 4.1 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.732 1.266 . . . . 0.0 109.363 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -57.69 -16.89 12.21 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.212 1.005 . . . . 0.0 111.091 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -111.44 -27.31 8.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 117.149 -1.405 . . . . 0.0 111.734 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.91 -23.84 33.36 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 120.259 1.39 . . . . 0.0 110.708 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.27 -15.39 55.64 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.345 -0.847 . . . . 0.0 109.109 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.7 m -88.08 -41.87 12.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.97 0.908 . . . . 0.0 108.74 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -69.11 -25.03 64.21 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.599 1.091 . . . . 0.0 112.241 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.79 -30.99 56.69 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.959 0.799 . . . . 0.0 109.116 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.0 82.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -72.41 -30.54 64.73 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.27 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.5 87.67 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.248 -0.907 . . . . 0.0 109.76 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -62.44 -33.78 75.49 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.711 -0.618 . . . . 0.0 109.399 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.21 -40.52 62.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.441 0.697 . . . . 0.0 110.121 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.28 -30.73 60.69 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.385 1.074 . . . . 0.0 112.737 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.69 5.79 23.33 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.3 -0.875 . . . . 0.0 111.747 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.5 mt -121.22 -30.21 4.36 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.625 1.97 . . . . 0.0 110.321 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -47.12 -49.22 22.45 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 130.616 3.566 . . . . 0.0 114.355 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.42 -39.24 93.97 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.986 0.812 . . . . 0.0 112.654 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -5.67 55.55 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -119.33 -59.05 1.87 Allowed 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 123.478 0.711 . . . . 0.0 110.169 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.63 -163.34 24.97 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 125.729 1.633 . . . . 0.0 109.235 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.54 158.6 9.54 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.812 0.845 . . . . 0.0 110.772 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -139.32 168.01 20.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.45 1.1 . . . . 0.0 111.815 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 p -130.56 151.65 50.8 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.551 1.54 . . . . 0.0 109.318 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.6 t -142.24 139.84 29.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 124.016 0.926 . . . . 0.0 108.662 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -134.25 111.74 10.5 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.73 134.2 27.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 123.935 0.894 . . . . 0.0 109.454 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.12 -174.93 4.24 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.664 1.586 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 52.01 45.43 28.32 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.033 1.333 . . . . 0.0 110.313 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.23 8.78 0.6 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.174 2.19 . . . . 0.0 112.984 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.93 -3.35 11.71 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 125.854 1.692 . . . . 0.0 112.693 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -89.67 -2.7 58.36 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.782 1.791 . . . . 0.0 112.866 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.7 m -137.14 137.15 38.91 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 119.374 0.988 . . . . 0.0 109.169 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.3 mt -126.37 114.07 17.73 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 125.862 1.665 . . . . 0.0 108.586 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -83.53 97.96 9.3 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 104.202 -2.518 . . . . 0.0 104.202 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mt -110.33 130.71 63.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 119.171 0.896 . . . . 0.0 112.29 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -134.79 142.1 46.6 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.019 0.928 . . . . 0.0 110.407 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -91.83 129.43 37.79 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 103.325 -2.843 . . . . 0.0 103.325 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.43 -24.99 61.67 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 CA-C-O 115.339 -2.923 . . . . 0.0 109.885 -179.425 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.7 m -127.82 125.89 40.65 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 104.335 -2.469 . . . . 0.0 104.335 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.27 121.29 64.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -94.53 131.07 40.64 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.611 1.164 . . . . 0.0 109.939 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.49 115.97 23.84 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.409 1.484 . . . . 0.0 110.086 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -86.5 134.29 33.68 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.5 mt -118.11 129.83 55.77 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.51 123.39 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 127.096 2.158 . . . . 0.0 107.937 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -123.87 139.5 53.91 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.66 -15.09 6.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.731 1.612 . . . . 0.0 113.086 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -67.1 -1.73 4.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.266 1.826 . . . . 0.0 111.149 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.91 67.06 1.43 Allowed Glycine 0 C--N 1.341 0.853 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 p -160.42 139.48 10.61 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 p -131.81 126.78 35.18 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.78 167.35 20.71 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 126.316 1.846 . . . . 0.0 111.688 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.8 p -137.24 136.27 37.95 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.728 1.611 . . . . 0.0 109.434 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.58 145.7 51.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.42 112.85 12.5 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 125.346 1.458 . . . . 0.0 107.179 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -107.72 143.63 35.96 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.381 1.472 . . . . 0.0 107.304 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.34 156.12 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.467 1.107 . . . . 0.0 108.766 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.94 -163.9 26.19 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 107.816 -2.114 . . . . 0.0 107.816 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.432 ' HG1' ' CD ' ' A' ' 28' ' ' GLU . 50.6 p -67.72 162.44 23.79 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 178.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -50.59 -44.55 56.9 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 120.906 -1.121 . . . . 0.0 112.512 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -73.05 -25.27 60.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.467 0.707 . . . . 0.0 112.553 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.432 ' CD ' ' HG1' ' A' ' 25' ' ' THR . 77.0 mt-10 -88.82 -23.84 22.73 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.186 0.903 . . . . 0.0 111.603 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.86 -17.47 35.53 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.81 -0.556 . . . . 0.0 110.281 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.2 m -89.84 -42.06 11.47 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.0 t -72.67 -25.33 61.22 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-O 118.086 -0.959 . . . . 0.0 111.348 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.32 -40.16 81.76 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 120.13 1.332 . . . . 0.0 108.809 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.92 81.83 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.006 0.922 . . . . 0.0 111.635 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -72.3 -30.24 64.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.806 0.73 . . . . 0.0 110.385 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.77 -35.62 64.99 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -66.39 -39.82 89.29 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 120.899 -1.126 . . . . 0.0 109.304 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.54 68.83 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.42 -0.8 . . . . 0.0 110.842 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -62.29 -37.75 86.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.845 0.858 . . . . 0.0 111.958 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -72.38 -16.45 61.86 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 120.956 -1.09 . . . . 0.0 111.677 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.9 mt -96.18 -7.61 35.3 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.643 0.777 . . . . 0.0 110.788 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.57 -47.48 72.65 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.032 1.333 . . . . 0.0 108.036 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.3 -22.02 65.7 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.673 1.589 . . . . 0.0 112.156 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -105.0 -18.23 14.23 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.294 1.038 . . . . 0.0 113.419 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -127.28 -44.97 1.55 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.105 1.32 . . . . 0.0 114.116 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.65 -174.29 23.1 Favored Glycine 0 C--N 1.333 0.384 0 CA-C-N 120.2 1.364 . . . . 0.0 112.27 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -62.38 159.3 15.63 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.811 0.815 . . . . 0.0 108.933 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -147.57 162.43 39.12 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.177 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.6 p -127.96 164.36 22.47 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.365 1.866 . . . . 0.0 107.28 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.4 p -145.27 131.58 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.869 0.843 . . . . 0.0 109.234 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -112.88 116.73 30.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.7 t -82.13 134.88 26.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.39 174.34 10.73 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.327 1.051 . . . . 0.0 109.68 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 55' ' ' GLY . 3.0 m-20 36.12 67.93 0.27 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.667 2.787 . . . . 0.0 111.799 178.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 67.12 -27.33 0.13 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 129.527 3.131 . . . . 0.0 113.508 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 53' ' ' ASP . . . 140.34 -3.25 2.4 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 128.958 3.17 . . . . 0.0 111.377 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -72.67 -16.18 61.69 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.148 1.779 . . . . 0.0 113.523 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -130.26 125.71 35.49 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.5 mt -113.63 131.51 56.1 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 124.528 1.131 . . . . 0.0 109.184 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -108.7 91.61 3.72 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.1 mt -90.82 140.17 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -134.64 123.19 23.37 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.17 0.988 . . . . 0.0 108.631 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -89.29 144.64 25.94 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.13 88.89 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.484 1.114 . . . . 0.0 111.247 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 117.385 -1.786 . . . . 0.0 111.71 179.328 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttt . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.84 148.12 48.01 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 124.992 1.317 . . . . 0.0 111.127 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -69.55 168.31 14.95 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.225 1.01 . . . . 0.0 109.86 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 m -137.01 174.61 11.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 125.086 1.354 . . . . 0.0 110.129 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.4 m -123.17 131.79 53.82 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.542 1.937 . . . . 0.0 106.001 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.6 mt -126.08 131.76 71.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 124.695 1.198 . . . . 0.0 108.281 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' OE2' ' A' ' 21' ' ' GLU . 2.6 tppp? -92.48 120.53 33.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 126.12 1.768 . . . . 0.0 107.907 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.09 110.31 20.52 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -94.51 132.17 39.46 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mp -127.11 126.58 43.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 118.995 0.816 . . . . 0.0 110.662 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.86 131.69 66.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 125.443 1.497 . . . . 0.0 109.238 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -111.94 149.5 31.82 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.37 -12.92 61.42 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.071 0.462 . . . . 0.0 110.429 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -64.82 3.23 0.57 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.389 2.275 . . . . 0.0 112.788 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.33 36.02 46.18 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-N 120.35 1.432 . . . . 0.0 112.19 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 t -149.31 142.74 25.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.4 p -116.91 158.27 24.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.4 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -149.64 162.89 39.32 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.081 1.753 . . . . 0.0 106.907 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -146.19 151.78 38.17 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.59 148.47 44.19 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 105.707 -1.961 . . . . 0.0 105.707 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' OE2' ' HE2' ' A' ' 7' ' ' LYS . 91.8 mt-10 -133.42 114.06 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 -178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -107.4 149.11 28.26 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.286 1.034 . . . . 0.0 110.061 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -130.97 133.46 45.83 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 127.399 2.28 . . . . 0.0 107.087 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.56 -157.92 28.09 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -71.92 170.54 13.54 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.06 -17.26 56.87 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.357 1.063 . . . . 0.0 110.466 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -111.8 -27.21 8.58 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 118.848 0.749 . . . . 0.0 110.952 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.91 -21.77 43.54 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 118.888 0.767 . . . . 0.0 109.72 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.16 -8.4 39.53 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 120.874 -1.141 . . . . 0.0 110.02 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.2 m -102.13 -42.62 6.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.118 0.967 . . . . 0.0 110.888 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 t -75.58 -24.55 56.62 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 119.171 0.896 . . . . 0.0 110.807 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -73.22 -40.23 64.87 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.97 88.55 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.192 0.997 . . . . 0.0 110.454 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -72.21 -29.65 64.17 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.631 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -32.47 66.58 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -63.45 -38.43 91.11 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.0 66.54 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.501 -0.75 . . . . 0.0 109.913 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.04 -36.97 83.19 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.206 1.002 . . . . 0.0 110.197 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.46 11.11 7.42 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.133 0.973 . . . . 0.0 111.657 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.2 mt -120.76 -28.0 4.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.248 1.419 . . . . 0.0 109.557 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.46 -40.94 88.51 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.696 1.134 . . . . 0.0 110.113 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.94 -16.15 48.79 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.994 1.318 . . . . 0.0 112.285 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.25 7.34 11.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.195 1.798 . . . . 0.0 111.072 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -136.38 -83.93 0.37 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.104 0.962 . . . . 0.0 111.726 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.74 -175.39 43.9 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 127.666 2.555 . . . . 0.0 108.028 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -57.99 161.91 3.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 117.856 0.828 . . . . 0.0 110.704 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -142.92 165.38 27.52 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.002 0.906 . . . . 0.0 111.787 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.35 157.72 41.8 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.881 1.673 . . . . 0.0 108.652 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.0 p -140.87 136.6 34.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.504 0.669 . . . . 0.0 110.367 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.98 110.9 20.31 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 126.826 2.051 . . . . 0.0 107.338 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.3 132.76 31.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.18 176.19 9.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.125 1.37 . . . . 0.0 108.934 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 36.28 68.32 0.26 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 128.262 2.625 . . . . 0.0 111.993 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 50.86 24.64 1.85 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.969 2.108 . . . . 0.0 115.127 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.5 -15.8 61.54 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 118.72 -1.044 . . . . 0.0 112.118 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -73.74 -4.4 34.31 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.052 1.341 . . . . 0.0 112.833 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.1 m -132.75 121.92 23.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.5 mt -121.61 110.42 15.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -97.29 106.23 18.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 mt -103.67 130.87 53.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -132.96 120.86 21.97 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.613 1.165 . . . . 0.0 108.386 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.49 140.63 34.47 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.01 -48.72 28.19 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.394 1.078 . . . . 0.0 109.774 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.341 0 CA-C-O 115.698 -2.723 . . . . 0.0 112.274 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 CA--C 1.515 -0.382 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -117.28 12.21 14.28 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.307 1.443 . . . . 0.0 109.659 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -61.25 167.21 3.27 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.255 2.222 . . . . 0.0 111.462 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.3 m -126.76 174.27 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 126.64 1.976 . . . . 0.0 108.827 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -132.39 103.82 6.39 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -107.59 128.41 62.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -100.92 131.61 46.72 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.973 1.309 . . . . 0.0 110.673 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.16 112.26 25.07 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.403 1.481 . . . . 0.0 107.11 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -86.6 120.67 28.17 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 101.377 -3.564 . . . . 0.0 101.377 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.6 mt -112.16 110.96 21.52 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.316 1.447 . . . . 0.0 110.47 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.28 136.8 58.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 O-C-N 121.101 -0.999 . . . . 0.0 108.876 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -128.28 147.1 50.58 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.98 -2.64 31.47 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.32 -12.8 15.17 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 126.675 1.99 . . . . 0.0 111.044 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.45 21.62 8.25 Favored Glycine 0 C--N 1.341 0.855 0 C-N-CA 126.153 1.835 . . . . 0.0 113.496 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -142.74 158.33 43.75 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.29 2.045 . . . . 0.0 114.77 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.8 p -122.59 143.88 49.46 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.941 2.096 . . . . 0.0 107.115 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -151.47 159.29 44.25 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.551 1.54 . . . . 0.0 107.608 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.9 m -147.06 144.72 29.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.34 155.21 48.77 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.812 1.245 . . . . 0.0 107.863 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -131.86 135.59 46.81 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -124.72 144.69 50.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.475 1.51 . . . . 0.0 108.206 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mp0 -127.84 155.13 44.61 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.617 1.167 . . . . 0.0 109.13 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.82 -160.34 27.03 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p -64.12 170.55 3.56 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -58.13 -43.92 87.52 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.772 -1.205 . . . . 0.0 111.585 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -77.78 -26.17 49.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.411 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -80.91 -24.13 38.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.011 1.278 . . . . 0.0 111.917 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.28 -7.27 58.63 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.133 -0.979 . . . . 0.0 109.351 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.3 m -108.23 -41.86 4.78 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.962 1.305 . . . . 0.0 111.709 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.6 t -73.79 -25.6 60.21 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.316 0.962 . . . . 0.0 111.456 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.06 -40.88 74.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.749 0.704 . . . . 0.0 109.783 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.05 -48.78 72.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 124.114 0.965 . . . . 0.0 110.578 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -70.47 -29.35 65.88 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 118.579 -1.249 . . . . 0.0 109.612 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.86 85.5 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.755 1.161 . . . . 0.0 108.838 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -66.97 -46.71 73.83 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.28 77.95 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.25 -0.906 . . . . 0.0 110.822 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -66.71 -28.4 68.41 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.168 1.387 . . . . 0.0 109.899 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -89.62 -1.16 57.94 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.743 1.156 . . . . 0.0 111.513 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.3 mt -104.23 -29.54 10.74 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.834 1.254 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -21.95 66.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.425 0.557 . . . . 0.0 110.419 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.18 -3.34 1.76 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 130.197 3.399 . . . . 0.0 112.558 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -148.4 -31.35 0.27 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.445 1.498 . . . . 0.0 112.047 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -82.14 -69.27 0.63 Allowed 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.34 -178.02 32.2 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 128.009 2.718 . . . . 0.0 107.069 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.16 162.03 20.68 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.346 1.07 . . . . 0.0 111.843 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -140.52 159.01 43.13 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.427 1.491 . . . . 0.0 111.59 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.9 p -116.38 161.66 18.72 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -141.62 153.15 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 O-C-N 121.41 -0.806 . . . . 0.0 109.906 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -133.32 119.0 19.17 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.196 1.398 . . . . 0.0 107.248 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.48 119.88 30.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.02 178.17 7.71 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.445 0.698 . . . . 0.0 109.71 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 48.02 53.19 11.95 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.917 1.687 . . . . 0.0 110.046 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 57.6 16.21 3.27 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.083 2.153 . . . . 0.0 113.835 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.81 -5.25 56.53 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.853 1.216 . . . . 0.0 111.536 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -77.69 -11.18 59.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.801 1.3 . . . . 0.0 111.335 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.3 m -133.94 122.47 23.15 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.195 0.998 . . . . 0.0 109.543 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.34 111.28 22.03 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -93.87 100.9 12.99 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.7 mt -99.0 134.83 36.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 124.655 1.182 . . . . 0.0 109.182 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -130.17 105.34 7.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.047 1.339 . . . . 0.0 110.255 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -77.19 117.97 19.24 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.64 -41.89 2.35 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.725 2.01 . . . . 0.0 114.614 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -178.57 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.89 162.32 38.01 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 118.637 0.653 . . . . 0.0 111.708 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -88.28 -179.96 6.23 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 127.487 2.315 . . . . 0.0 109.509 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.44 168.34 12.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 125.286 1.434 . . . . 0.0 109.834 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m -120.64 119.09 31.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 103.548 -2.76 . . . . 0.0 103.548 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -116.32 120.03 63.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -92.66 131.26 37.9 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.11 0.964 . . . . 0.0 109.916 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.61 122.3 42.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.871 1.668 . . . . 0.0 107.746 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -92.83 133.96 35.55 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -126.84 123.64 37.78 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.593 1.088 . . . . 0.0 112.188 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.39 132.24 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 127.247 2.219 . . . . 0.0 108.671 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -125.03 142.37 51.54 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.61 -11.07 21.98 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.6 1.16 . . . . 0.0 112.684 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -66.98 -7.22 20.77 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.842 0.857 . . . . 0.0 110.916 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.57 50.54 2.52 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 107.449 -2.26 . . . . 0.0 107.449 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 m -142.39 140.18 31.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.206 1.402 . . . . 0.0 111.339 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.3 p -135.36 127.35 29.63 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -139.88 166.75 23.8 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.145 2.178 . . . . 0.0 108.146 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.4 p -135.0 152.4 51.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.62 141.09 31.86 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -131.42 130.28 42.34 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -121.01 140.48 51.86 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -122.79 137.31 54.96 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.737 1.215 . . . . 0.0 108.175 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.05 -162.9 32.05 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 106.841 -2.503 . . . . 0.0 106.841 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 p -71.52 174.99 5.91 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 118.593 -1.243 . . . . 0.0 108.878 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -48.25 -49.35 33.67 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.703 0.801 . . . . 0.0 111.8 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -79.59 -26.93 41.15 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -78.55 -22.57 47.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.735 0.698 . . . . 0.0 110.489 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.27 -4.57 48.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.721 0.808 . . . . 0.0 110.367 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.4 m -107.97 -42.62 4.63 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.636 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -72.34 -24.71 61.33 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.404 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -67.49 -42.01 83.62 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.08 88.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.472 0.709 . . . . 0.0 111.113 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -73.07 -29.27 62.83 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.12 -40.15 53.48 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -58.36 -38.9 78.17 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.265 1.026 . . . . 0.0 108.804 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.65 63.36 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.722 -0.611 . . . . 0.0 112.028 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -68.99 -37.56 78.8 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.509 1.504 . . . . 0.0 108.403 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -11.93 61.24 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.493 1.117 . . . . 0.0 110.866 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -102.21 -26.03 13.48 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.87 1.268 . . . . 0.0 109.683 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.72 -44.6 93.12 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.466 1.506 . . . . 0.0 108.513 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.95 -11.16 25.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.554 1.542 . . . . 0.0 111.385 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -117.57 -9.6 10.77 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.211 1.404 . . . . 0.0 113.447 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -129.91 -71.95 0.59 Allowed 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.439 1.096 . . . . 0.0 112.781 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.83 -176.73 40.58 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 127.38 2.419 . . . . 0.0 108.581 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -61.88 163.86 7.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 122.146 0.974 . . . . 0.0 109.891 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -146.45 171.29 15.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.668 0.747 . . . . 0.0 111.868 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 p -130.45 168.71 16.57 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 127.173 2.189 . . . . 0.0 106.493 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.7 p -147.23 119.19 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 121.122 -0.986 . . . . 0.0 108.899 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.56 109.02 21.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.95 134.55 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.348 1.059 . . . . 0.0 109.91 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.85 171.36 14.16 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.598 1.159 . . . . 0.0 110.081 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 55' ' ' GLY . 5.7 m-20 50.31 49.54 20.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 125.792 1.637 . . . . 0.0 108.567 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 62.03 -10.32 0.08 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 128.332 2.653 . . . . 0.0 113.987 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 53' ' ' ASP . . . 143.0 -14.83 2.37 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.163 1.84 . . . . 0.0 112.401 -179.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -69.09 -9.71 54.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.565 1.682 . . . . 0.0 113.876 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.5 m -133.25 113.87 13.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.2 mt -110.37 110.06 20.71 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -93.73 100.51 12.71 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.81 140.13 16.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -134.73 114.16 12.4 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 125.151 1.381 . . . . 0.0 108.042 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -90.63 144.94 25.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.934 1.243 . . . . 0.0 110.842 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.05 75.18 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.707 0.803 . . . . 0.0 109.989 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.918 0 C-N-CA 124.026 0.822 . . . . 0.0 111.187 179.65 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -141.68 -176.09 4.63 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.257 1.023 . . . . 0.0 109.42 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -108.21 162.8 13.74 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.326 1.05 . . . . 0.0 109.046 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.1 165.76 13.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 127.007 2.123 . . . . 0.0 106.925 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.28 137.44 51.78 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.8 mt -126.37 132.34 70.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 126.417 1.887 . . . . 0.0 106.738 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -110.67 109.43 19.69 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 120.983 -1.073 . . . . 0.0 108.994 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.04 109.1 21.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -90.68 133.96 34.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 103.733 -2.691 . . . . 0.0 103.733 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mp -123.85 134.32 53.61 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.157 0.89 . . . . 0.0 110.885 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -129.27 125.38 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 125.706 1.602 . . . . 0.0 108.21 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -110.23 143.22 40.71 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.95 -21.0 42.0 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -65.53 -12.59 54.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.837 1.255 . . . . 0.0 111.869 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.82 7.05 56.86 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 m -86.57 132.28 33.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.208 1.803 . . . . 0.0 106.526 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.6 p -132.25 150.57 52.13 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -144.0 153.31 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.53 0.732 . . . . 0.0 110.231 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 143.61 44.8 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 104.289 -2.486 . . . . 0.0 104.289 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.31 135.47 13.06 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -124.93 133.47 53.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -120.03 137.12 54.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -122.15 122.95 40.39 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.848 1.659 . . . . 0.0 107.035 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.66 -162.32 36.08 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 109.084 -1.607 . . . . 0.0 109.084 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.9 p -69.01 165.68 19.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -58.41 -35.75 72.53 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.259 -0.901 . . . . 0.0 110.114 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -83.42 -27.41 29.59 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 117.202 -1.38 . . . . 0.0 112.418 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -85.18 -23.84 28.17 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 120.842 1.655 . . . . 0.0 111.712 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.23 -4.19 54.74 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.499 -0.751 . . . . 0.0 109.364 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.4 m -108.17 -42.22 4.69 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.182 1.793 . . . . 0.0 109.861 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.2 p -72.36 -25.49 61.55 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 120.181 1.355 . . . . 0.0 111.137 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -74.16 -33.74 63.58 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.38 67.6 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.037 1.335 . . . . 0.0 111.264 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -71.38 -29.25 64.73 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.22 -48.15 71.52 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 120.933 -1.104 . . . . 0.0 109.105 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -57.95 -36.46 72.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.263 0.625 . . . . 0.0 109.519 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.16 61.73 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.223 -0.923 . . . . 0.0 111.847 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.03 -37.31 79.4 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.114 1.765 . . . . 0.0 112.339 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -73.01 -11.69 60.66 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.2 mt -101.86 -9.71 20.5 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.839 1.256 . . . . 0.0 110.901 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.09 -37.87 88.9 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.426 1.49 . . . . 0.0 109.611 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -73.0 -17.08 61.49 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.314 1.446 . . . . 0.0 111.996 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.22 -6.3 19.89 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.081 1.753 . . . . 0.0 111.638 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -138.69 -74.59 0.38 Allowed 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 120.747 -1.22 . . . . 0.0 109.748 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.15 -160.0 30.11 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -60.34 162.8 5.71 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.418 1.087 . . . . 0.0 110.654 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -157.96 169.58 24.26 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.401 1.08 . . . . 0.0 111.37 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.0 p -139.46 157.86 45.12 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.6 t -133.39 127.95 54.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 O-C-N 121.737 -0.602 . . . . 0.0 109.676 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -89.28 138.41 31.46 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 t -115.47 115.37 49.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.09 175.84 9.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.425 1.09 . . . . 0.0 108.974 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.19 39.36 28.88 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.061 0.945 . . . . 0.0 111.466 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 67.63 6.4 4.98 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.01 2.124 . . . . 0.0 110.831 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.19 -10.35 24.6 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.458 1.98 . . . . 0.0 110.976 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.47 -4.7 31.96 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.244 1.022 . . . . 0.0 111.69 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.1 m -131.76 101.33 5.42 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.09 110.66 22.99 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 103.743 -2.688 . . . . 0.0 103.743 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -99.21 97.31 8.41 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.3 mt -84.9 128.42 38.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.789 1.635 . . . . 0.0 108.73 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -134.03 121.74 22.0 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -78.97 144.64 34.57 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.0 82.02 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 126.143 1.777 . . . . 0.0 114.67 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.326 0 C-N-CA 124.601 1.096 . . . . 0.0 111.654 -179.416 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtp . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -141.18 155.06 46.12 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 126.081 1.753 . . . . 0.0 106.654 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -80.61 174.34 11.71 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 119.081 0.855 . . . . 0.0 109.514 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.4 m -142.25 165.18 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 C-N-CA 125.64 1.576 . . . . 0.0 108.981 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.5 m -116.48 115.08 25.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.7 mt -111.68 131.93 61.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 127.177 2.191 . . . . 0.0 107.536 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -114.44 131.37 56.63 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.649 1.18 . . . . 0.0 110.596 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.5 110.86 19.88 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -92.66 109.78 21.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 103.87 -2.641 . . . . 0.0 103.87 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.01 136.03 34.73 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 126.771 2.028 . . . . 0.0 109.202 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.3 mt -129.15 126.36 64.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 126.977 2.111 . . . . 0.0 106.741 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -119.22 138.76 52.75 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.77 -15.94 59.92 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.234 1.413 . . . . 0.0 109.789 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -60.59 -14.71 21.78 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 129.022 2.929 . . . . 0.0 112.332 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.22 35.2 4.26 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -152.74 175.51 12.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.227 -1.161 . . . . 0.0 111.463 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.3 p -142.63 161.18 38.75 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 128.434 2.694 . . . . 0.0 107.222 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -152.54 160.93 43.19 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.136 1.374 . . . . 0.0 107.697 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -130.22 145.79 51.77 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.46 147.38 43.18 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -139.88 137.85 35.2 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -128.99 134.38 48.14 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 125.574 1.55 . . . . 0.0 107.33 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -124.77 109.87 13.62 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.516 1.926 . . . . 0.0 106.451 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.54 -162.31 30.84 Favored Glycine 0 C--O 1.238 0.401 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.9 p -64.17 154.58 34.33 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 107.059 -1.459 . . . . 0.0 107.059 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -55.2 -34.03 63.56 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 120.826 -1.171 . . . . 0.0 111.241 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -80.75 -27.48 36.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.352 -0.832 . . . . 0.0 112.399 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -89.85 -24.26 21.45 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 119.128 0.876 . . . . 0.0 111.222 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.81 -12.51 59.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.366 -0.834 . . . . 0.0 109.043 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.3 m -103.27 -41.94 5.89 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.826 1.25 . . . . 0.0 108.624 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -68.34 -25.27 65.01 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 119.061 0.846 . . . . 0.0 110.94 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -85.86 -30.33 23.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.603 -0.686 . . . . 0.0 109.719 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.18 -46.72 82.75 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.299 1.04 . . . . 0.0 111.613 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -71.75 -30.62 65.79 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.132 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.67 74.0 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.171 0.51 . . . . 0.0 109.778 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -66.46 -33.85 76.61 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.409 -0.807 . . . . 0.0 109.187 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -44.78 46.46 Favored 'General case' 0 C--O 1.223 -0.332 0 O-C-N 121.377 -0.827 . . . . 0.0 109.084 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.92 -36.37 48.81 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 127.003 2.121 . . . . 0.0 115.238 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -65.25 -26.67 68.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.436 1.016 . . . . 0.0 111.025 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.05 -10.82 54.3 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 125.271 1.429 . . . . 0.0 110.657 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.95 -30.87 71.89 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.079 1.351 . . . . 0.0 111.066 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.33 -4.23 44.03 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.807 0.843 . . . . 0.0 111.83 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -123.32 -32.64 3.38 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.669 1.587 . . . . 0.0 113.064 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -114.59 -12.58 12.23 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.803 1.241 . . . . 0.0 112.937 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.72 -170.24 43.74 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 119.149 0.886 . . . . 0.0 111.303 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.68 159.76 8.22 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 122.805 1.288 . . . . 0.0 111.607 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -134.89 175.17 9.81 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 126.062 1.745 . . . . 0.0 109.661 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.0 p -130.12 148.71 51.99 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 128.018 2.527 . . . . 0.0 105.686 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -138.5 149.66 24.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -129.78 109.93 11.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.358 1.863 . . . . 0.0 106.772 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.51 101.8 8.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.65 179.36 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.152 1.381 . . . . 0.0 110.771 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t70 50.61 60.52 3.8 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.415 1.486 . . . . 0.0 111.219 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 57.46 3.55 0.18 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.973 2.109 . . . . 0.0 113.802 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.64 30.54 4.28 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.324 1.44 . . . . 0.0 110.637 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -125.68 5.61 7.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.806 1.303 . . . . 0.0 112.685 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.0 m -135.54 117.72 15.51 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.3 mt -117.43 110.54 18.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.7 114.45 26.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 102.376 -3.194 . . . . 0.0 102.376 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mt -112.26 127.9 69.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.681 1.592 . . . . 0.0 108.776 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -132.86 135.14 45.43 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.497 1.119 . . . . 0.0 109.308 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -98.53 146.44 25.78 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.134 1.374 . . . . 0.0 108.371 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.16 86.73 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 110.603 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.695 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.899 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptm . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 121.371 0.605 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -153.99 167.07 31.01 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 127.627 2.371 . . . . 0.0 106.211 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -92.51 170.52 9.69 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.499 1.12 . . . . 0.0 108.262 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.8 m -145.19 170.31 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 C-N-CA 127.881 2.472 . . . . 0.0 107.517 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -130.39 122.58 28.09 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 103.464 -2.791 . . . . 0.0 103.464 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mt -118.8 131.45 71.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 131.12 38.34 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.12 110.6 17.26 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.87 0.868 . . . . 0.0 110.334 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -91.75 128.25 37.52 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mp -127.49 134.15 49.82 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.6 125.86 62.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 124.483 1.113 . . . . 0.0 109.46 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -99.87 143.54 29.97 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.06 -9.96 44.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.558 0.743 . . . . 0.0 109.943 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -64.73 -18.16 64.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 128.995 2.918 . . . . 0.0 112.918 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.35 31.85 6.98 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 109.864 -1.295 . . . . 0.0 109.864 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.2 m -139.89 130.9 26.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.557 1.543 . . . . 0.0 108.89 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.1 p -113.41 158.09 21.09 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -146.7 145.45 30.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.126 -0.984 . . . . 0.0 110.466 -178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.95 135.92 40.64 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 126.403 1.881 . . . . 0.0 106.885 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.87 157.56 43.31 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -154.87 151.66 28.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -136.27 145.22 45.34 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 125.19 1.396 . . . . 0.0 108.454 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.04 125.9 32.58 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.176 1.79 . . . . 0.0 109.377 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.1 -163.59 36.92 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 107.075 -2.41 . . . . 0.0 107.075 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 p -67.8 170.5 7.91 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.116 -1.226 . . . . 0.0 109.343 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.76 -30.58 61.5 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.176 0.99 . . . . 0.0 110.39 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -96.78 -25.73 15.39 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 117.687 -1.149 . . . . 0.0 112.88 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -79.32 -21.11 46.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.417 1.008 . . . . 0.0 110.719 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.72 1.0 40.01 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.917 0.887 . . . . 0.0 112.887 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.0 m -107.16 -42.41 4.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 120.053 1.297 . . . . 0.0 114.398 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.3 m -71.74 -24.21 61.74 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 121.473 1.942 . . . . 0.0 109.364 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.15 -39.52 89.88 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.38 89.6 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.932 -0.48 . . . . 0.0 110.088 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -72.52 -29.56 63.7 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.79 -36.15 75.47 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -64.27 -34.78 78.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.12 -41.72 57.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.588 0.755 . . . . 0.0 109.32 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.97 -36.16 74.38 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 126.38 1.872 . . . . 0.0 112.015 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.0 t -73.3 -6.16 44.27 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.567 -0.708 . . . . 0.0 110.557 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.9 mt -111.35 -10.77 14.21 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.477 1.911 . . . . 0.0 109.439 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.16 -16.56 63.66 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.371 1.868 . . . . 0.0 109.895 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.89 -2.64 56.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.704 2.001 . . . . 0.0 111.001 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -126.27 -29.32 3.01 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.565 1.146 . . . . 0.0 112.296 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -114.54 -34.28 5.28 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.184 0.993 . . . . 0.0 113.039 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.43 -158.15 16.02 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 119.637 1.108 . . . . 0.0 111.188 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -52.19 155.62 1.91 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.994 1.318 . . . . 0.0 113.151 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -145.99 168.41 20.95 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.847 1.659 . . . . 0.0 110.47 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -131.41 160.14 35.95 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.23 1.412 . . . . 0.0 109.149 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.3 p -147.7 143.28 19.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 O-C-N 121.729 -0.607 . . . . 0.0 111.547 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.53 109.19 12.92 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -83.43 112.94 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 105.2 -2.148 . . . . 0.0 105.2 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.3 -179.27 5.41 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.007 0.523 . . . . 0.0 110.282 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.49 59.69 4.4 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 126.166 1.786 . . . . 0.0 108.974 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 52.74 21.54 1.95 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.745 1.218 . . . . 0.0 113.185 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.7 -8.43 65.98 Favored Glycine 0 CA--C 1.532 1.145 0 O-C-N 120.932 -1.105 . . . . 0.0 113.029 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -80.35 -11.86 59.66 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.153 1.381 . . . . 0.0 114.235 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.7 m -130.23 101.22 5.69 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -93.59 116.08 28.58 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -101.55 100.28 10.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.6 mt -103.52 136.94 34.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 126.338 1.855 . . . . 0.0 108.958 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -134.83 140.95 46.24 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.814 1.646 . . . . 0.0 109.264 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -101.39 146.56 27.43 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.723 -1.236 . . . . 0.0 108.797 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.78 -34.3 39.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.398 0.618 . . . . 0.0 110.087 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.601 0 C-N-CA 126.698 2.094 . . . . 0.0 112.825 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -146.85 157.89 43.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -154.84 173.3 16.67 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.755 1.622 . . . . 0.0 107.687 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 m -140.24 174.58 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 125.371 1.469 . . . . 0.0 109.001 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 m -118.99 110.85 17.6 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 mt -110.48 121.62 63.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.796 1.639 . . . . 0.0 107.726 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -105.8 110.14 22.34 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.233 1.413 . . . . 0.0 110.03 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.62 129.47 34.84 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 120.792 -1.192 . . . . 0.0 109.688 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -86.42 128.98 35.01 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -126.42 122.11 34.37 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mt -129.11 148.39 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -127.46 140.93 51.83 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.71 -20.32 64.78 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.626 1.57 . . . . 0.0 110.873 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -63.94 -17.23 63.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.167 1.387 . . . . 0.0 110.732 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.16 48.36 1.73 Allowed Glycine 0 C--N 1.338 0.665 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 m -135.48 155.99 49.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.099 0.959 . . . . 0.0 110.208 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -137.95 137.82 38.34 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.642 1.177 . . . . 0.0 109.458 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -141.02 166.54 24.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 127.107 2.163 . . . . 0.0 109.231 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.3 m -142.78 134.83 27.17 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 105.01 -2.219 . . . . 0.0 105.01 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.69 135.48 53.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 103.855 -2.646 . . . . 0.0 103.855 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -120.32 136.83 54.56 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -123.28 152.78 41.03 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.638 1.575 . . . . 0.0 108.433 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.99 166.13 23.1 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 127.79 2.436 . . . . 0.0 105.595 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.87 -172.81 14.42 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.5 p -62.9 158.58 18.73 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.35 0.595 . . . . 0.0 109.625 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -50.15 -51.27 44.9 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.422 1.089 . . . . 0.0 111.698 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -70.79 -25.44 62.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -82.58 -23.4 34.45 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.538 1.063 . . . . 0.0 110.903 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.07 0.99 56.24 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.393 -0.817 . . . . 0.0 109.557 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.1 m -108.4 -42.3 4.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.652 1.181 . . . . 0.0 109.995 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 p -70.22 -24.94 63.18 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.173 0.897 . . . . 0.0 111.859 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -85.22 -36.89 20.68 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.49 85.18 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.963 -0.46 . . . . 0.0 109.779 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -73.06 -29.59 63.08 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.957 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.59 -36.93 73.82 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.526 1.057 . . . . 0.0 109.969 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -63.21 -32.12 73.44 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.303 -0.873 . . . . 0.0 109.334 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.5 -40.31 61.88 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.873 0.869 . . . . 0.0 109.54 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.58 -29.96 64.88 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -71.8 -30.12 65.18 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.239 1.381 . . . . 0.0 109.926 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.5 mt -79.89 -10.21 59.75 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.935 1.294 . . . . 0.0 112.302 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.21 -43.49 94.87 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.071 0.949 . . . . 0.0 108.851 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.59 -11.39 43.84 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.371 1.468 . . . . 0.0 112.734 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -113.71 -3.88 13.48 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 125.25 1.42 . . . . 0.0 112.966 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -139.12 -64.46 0.5 Allowed 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 119.376 0.989 . . . . 0.0 110.532 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.47 -161.88 28.73 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 107.022 -2.431 . . . . 0.0 107.022 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -61.68 160.6 11.32 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.331 0.586 . . . . 0.0 110.492 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 48.9 p-90 -143.44 167.35 22.39 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.959 1.304 . . . . 0.0 109.212 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 p -123.18 161.1 25.14 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.746 1.218 . . . . 0.0 108.916 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -146.33 146.47 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-O 121.466 0.651 . . . . 0.0 109.788 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -136.65 120.23 17.13 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.259 1.423 . . . . 0.0 107.813 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.2 t -80.73 122.94 36.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.95 -175.9 4.69 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.862 0.865 . . . . 0.0 109.236 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 t70 52.97 48.48 22.33 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.55 1.54 . . . . 0.0 111.071 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 63.03 9.41 3.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.322 1.449 . . . . 0.0 112.218 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.48 0.13 53.33 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 126.112 1.815 . . . . 0.0 111.242 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.97 -22.21 29.25 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 119.435 1.617 . . . . 0.0 111.526 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 m -131.23 103.1 6.28 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.551 0.691 . . . . 0.0 111.065 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.03 131.16 36.79 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 128.678 2.791 . . . . 0.0 106.442 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.46 92.43 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.479 1.512 . . . . 0.0 108.583 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.1 mt -93.34 133.45 34.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -133.95 141.36 47.27 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.636 0.774 . . . . 0.0 109.443 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -97.31 165.38 12.05 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.213 0.205 . . . . 0.0 110.837 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.0 -16.25 7.09 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 117.573 -1.682 . . . . 0.0 109.785 -178.857 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.0 mtt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -133.91 164.49 27.17 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.321 1.448 . . . . 0.0 107.677 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.77 168.64 19.15 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.227 1.411 . . . . 0.0 112.008 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m -143.77 169.26 10.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 127.215 2.206 . . . . 0.0 106.931 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -122.78 95.3 4.57 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.9 mt -91.54 132.36 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 128.165 2.586 . . . . 0.0 108.303 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -102.0 119.32 38.61 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.922 2.089 . . . . 0.0 113.488 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.19 110.23 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -89.89 115.79 27.47 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.7 mt -111.61 134.83 52.92 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.978 1.311 . . . . 0.0 109.591 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.66 108.87 14.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 C-N-CA 129.549 3.14 . . . . 0.0 107.981 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -92.61 149.92 21.04 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.53 -12.56 53.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.177 0.591 . . . . 0.0 109.877 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -69.98 -6.52 33.84 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.314 1.845 . . . . 0.0 110.162 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.03 51.62 5.29 Favored Glycine 0 C--N 1.337 0.587 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -156.44 132.66 9.91 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.124 1.77 . . . . 0.0 106.792 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.5 p -110.76 153.32 25.5 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -141.62 143.0 33.43 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.876 0.87 . . . . 0.0 109.428 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.53 147.62 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.49 146.98 24.03 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.87 149.77 51.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -127.07 134.19 50.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -111.81 109.7 19.66 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 126.358 1.863 . . . . 0.0 107.308 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.19 -172.25 44.74 Favored Glycine 0 C--N 1.332 0.31 0 O-C-N 121.584 -0.697 . . . . 0.0 111.455 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -64.18 171.58 2.93 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 122.003 0.906 . . . . 0.0 109.387 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -68.36 -7.08 28.11 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.319 -0.863 . . . . 0.0 111.793 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -116.31 -25.82 7.39 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.051 -1.031 . . . . 0.0 111.955 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -82.53 -9.62 59.33 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.91 1.232 . . . . 0.0 111.643 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.32 -17.22 11.36 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.5 m -80.41 -43.48 20.93 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.575 1.534 . . . . 0.0 110.886 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 m -72.86 -23.22 60.72 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 121.032 -1.042 . . . . 0.0 108.921 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.04 -45.95 69.14 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.76 96.17 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.496 0.589 . . . . 0.0 109.692 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -72.42 -29.97 64.19 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 122.169 -0.332 . . . . 0.0 110.525 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.82 64.92 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 120.666 -1.271 . . . . 0.0 108.163 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.11 -32.8 73.42 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.89 49.96 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.555 0.742 . . . . 0.0 109.262 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.13 -36.79 71.11 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.712 1.605 . . . . 0.0 111.499 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -74.61 -10.33 59.44 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.969 0.804 . . . . 0.0 111.447 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.0 mt -101.09 -23.41 14.49 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.027 1.331 . . . . 0.0 109.778 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.98 -35.19 76.15 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 127.412 2.285 . . . . 0.0 110.713 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.12 -14.04 43.73 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.114 0.966 . . . . 0.0 112.699 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.87 -1.7 8.85 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.293 1.437 . . . . 0.0 112.243 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -135.62 -14.49 1.91 Allowed 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.07 -173.77 41.52 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -56.28 160.62 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 126.472 1.909 . . . . 0.0 112.841 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -144.61 -179.42 6.55 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.571 1.548 . . . . 0.0 111.407 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.7 p -138.9 151.83 47.26 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.114 1.765 . . . . 0.0 107.993 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 p -141.17 128.16 21.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 119.304 0.957 . . . . 0.0 109.254 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -104.42 114.79 29.25 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 104.335 -2.468 . . . . 0.0 104.335 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.87 115.49 30.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.44 -175.84 4.07 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.214 1.006 . . . . 0.0 110.498 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 56.57 41.35 28.69 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 67.37 4.46 3.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.027 2.131 . . . . 0.0 111.829 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.87 3.71 19.69 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 126.63 2.062 . . . . 0.0 111.473 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -86.83 -2.18 58.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.706 1.253 . . . . 0.0 112.111 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.6 m -132.49 130.53 40.59 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.7 mt -124.6 109.87 13.73 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -104.34 95.13 5.73 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.6 mt -92.7 135.75 26.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 125.187 1.395 . . . . 0.0 110.767 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -134.94 123.09 22.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.246 1.018 . . . . 0.0 109.658 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -87.31 152.22 22.46 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.23 -40.09 62.65 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.211 0.605 . . . . 0.0 110.164 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.814 0 CA-C-O 118.078 -1.401 . . . . 0.0 111.164 179.578 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -150.8 126.37 10.18 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 104.407 -2.442 . . . . 0.0 104.407 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -72.17 162.05 30.01 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.327 1.051 . . . . 0.0 111.219 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.73 169.05 19.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 125.592 1.557 . . . . 0.0 109.47 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.2 m -129.13 108.15 10.14 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.0 mt -108.91 132.08 57.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 126.843 2.057 . . . . 0.0 108.941 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -105.1 131.56 52.44 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 123.891 0.876 . . . . 0.0 109.562 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.5 110.66 20.18 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -97.04 129.02 44.54 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 101.713 -3.439 . . . . 0.0 101.713 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mp -118.79 135.68 54.39 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.687 1.195 . . . . 0.0 110.338 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.03 129.72 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.866 1.666 . . . . 0.0 106.708 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -114.2 149.05 36.36 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.264 1.026 . . . . 0.0 110.711 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.63 -13.74 62.34 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -59.08 -19.07 40.95 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.955 2.502 . . . . 0.0 110.853 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.92 45.87 3.26 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.264 -1.535 . . . . 0.0 109.264 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 p -165.19 167.41 18.11 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.671 -0.9 . . . . 0.0 110.435 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.2 p -126.42 167.27 15.79 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.685 1.594 . . . . 0.0 108.74 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -148.69 166.24 28.95 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 126.663 1.985 . . . . 0.0 108.972 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -147.01 148.05 31.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.13 140.32 27.92 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -120.41 119.78 34.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -112.05 146.66 37.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -132.19 149.61 52.35 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 125.231 1.413 . . . . 0.0 108.018 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.9 -154.22 22.1 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.8 p -74.21 163.81 27.38 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.838 0.828 . . . . 0.0 109.787 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.9 -13.17 5.59 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.125 2.17 . . . . 0.0 113.648 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -115.65 -26.0 7.63 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 118.094 -0.955 . . . . 0.0 111.735 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -81.67 -24.43 36.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.139 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.38 -18.39 36.29 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 120.729 -1.232 . . . . 0.0 110.34 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.6 m -88.1 -38.78 15.11 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 m -68.55 -25.54 64.97 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.776 -0.631 . . . . 0.0 109.848 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.72 -35.85 60.14 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.69 98.42 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.092 0.86 . . . . 0.0 109.596 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -72.53 -29.36 63.52 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.126 0.57 . . . . 0.0 111.383 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.65 -43.73 53.9 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.566 0.746 . . . . 0.0 109.153 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -61.85 -39.48 92.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.767 1.227 . . . . 0.0 108.755 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.08 -18.7 60.78 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.859 -0.525 . . . . 0.0 111.502 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.56 -37.23 82.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.289 0.949 . . . . 0.0 110.685 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.21 1.44 11.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.095 0.958 . . . . 0.0 110.329 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -116.4 -27.49 6.77 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 126.284 1.833 . . . . 0.0 108.055 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.31 -48.97 75.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.384 1.447 . . . . 0.0 108.821 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.97 -9.66 55.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.897 0.879 . . . . 0.0 112.88 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -115.46 -14.62 11.55 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.245 -0.909 . . . . 0.0 113.327 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -121.35 -48.41 2.2 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.867 1.267 . . . . 0.0 111.663 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.11 -166.94 24.27 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.09 165.53 3.33 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 122.319 1.057 . . . . 0.0 110.622 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -143.29 169.18 18.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 122.285 1.041 . . . . 0.0 112.086 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.7 p -128.11 144.91 51.14 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.66 147.82 33.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 122.326 1.06 . . . . 0.0 109.197 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.44 138.1 47.5 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.975 2.51 . . . . 0.0 105.389 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.6 p -116.48 128.42 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.48 -177.16 5.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.42 1.088 . . . . 0.0 110.625 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 55.16 41.75 31.26 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.079 1.351 . . . . 0.0 110.872 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 66.39 10.7 7.47 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.976 2.11 . . . . 0.0 111.788 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.19 -7.36 30.76 Favored Glycine 0 CA--C 1.523 0.594 0 C-N-CA 125.279 1.419 . . . . 0.0 111.484 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -77.9 -7.77 57.18 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.493 1.146 . . . . 0.0 111.674 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.2 m -132.95 136.14 45.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 119.343 0.974 . . . . 0.0 108.647 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.3 mt -125.95 131.83 52.2 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 126.086 1.754 . . . . 0.0 107.07 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -112.7 116.15 29.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.2 mt -111.68 128.86 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.543 -2.392 . . . . 0.0 104.543 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -133.25 107.97 8.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -68.82 141.61 55.09 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.52 81.06 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.828 0.851 . . . . 0.0 112.52 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.349 0 C-N-CA 125.97 1.748 . . . . 0.0 109.432 -179.283 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.355 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -88.28 -178.85 6.01 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.896 1.279 . . . . 0.0 109.881 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -140.74 154.52 46.34 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 125.22 1.408 . . . . 0.0 108.146 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.18 166.75 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 124.898 1.279 . . . . 0.0 108.626 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.4 m -125.55 141.21 52.16 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.007 1.323 . . . . 0.0 111.018 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.7 mt -126.69 119.94 54.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.979 2.112 . . . . 0.0 108.664 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -100.57 109.44 21.53 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 123.779 0.831 . . . . 0.0 109.351 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.97 113.78 23.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -97.96 128.81 44.76 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 102.288 -3.227 . . . . 0.0 102.288 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -127.22 135.55 50.79 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.382 0.673 . . . . 0.0 110.66 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.5 mt -121.21 124.7 72.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 125.788 1.635 . . . . 0.0 106.955 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -101.18 151.11 22.24 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -16.01 61.66 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.674 0.749 . . . . 0.0 109.931 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -66.49 -3.75 6.89 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.414 2.286 . . . . 0.0 111.211 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.78 31.74 55.34 Favored Glycine 0 C--N 1.338 0.644 0 O-C-N 120.678 -1.264 . . . . 0.0 111.554 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.6 156.81 47.14 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.1 p -123.23 177.95 5.34 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -156.03 163.05 40.17 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 m -144.97 144.24 30.94 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.99 113.14 7.53 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -96.8 110.76 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -107.8 148.16 29.89 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 126.366 1.866 . . . . 0.0 109.582 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -132.38 161.19 34.23 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.835 1.254 . . . . 0.0 108.323 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.05 -150.75 20.05 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 106.67 -2.572 . . . . 0.0 106.67 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 p -73.21 167.4 21.25 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -62.15 -45.68 92.34 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.99 -1.068 . . . . 0.0 108.594 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -72.1 -26.15 62.03 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.352 1.461 . . . . 0.0 113.119 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -87.98 -23.15 23.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 118.994 0.815 . . . . 0.0 112.112 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.35 -17.54 24.54 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.336 0.517 . . . . 0.0 109.822 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.6 m -75.26 -42.1 55.85 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.24 -24.04 62.11 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.415 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -65.77 -46.39 78.95 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.35 83.86 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.396 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -73.06 -29.07 62.7 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.541 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.57 -46.01 60.62 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -59.77 -32.5 70.64 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.692 1.197 . . . . 0.0 109.225 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.88 -49.37 20.63 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.746 1.218 . . . . 0.0 109.665 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.41 -37.42 70.15 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.922 1.689 . . . . 0.0 113.567 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 t -71.22 -25.66 62.6 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.274 0.943 . . . . 0.0 110.533 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -86.16 -16.32 38.23 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.558 1.143 . . . . 0.0 111.471 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.03 -30.01 71.11 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.225 1.41 . . . . 0.0 110.237 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.61 -10.5 59.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.009 1.324 . . . . 0.0 111.689 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -115.96 -53.74 2.54 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 125.027 1.331 . . . . 0.0 113.397 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -79.36 -63.32 1.44 Allowed 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.236 -0.29 . . . . 0.0 110.721 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.43 -163.69 28.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.589 -1.804 . . . . 0.0 108.589 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.96 166.64 1.91 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.005 0.922 . . . . 0.0 112.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -156.27 167.9 28.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.617 1.167 . . . . 0.0 111.082 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.2 p -130.73 162.22 29.96 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.613 1.565 . . . . 0.0 107.088 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 p -143.37 137.04 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -120.31 114.51 21.97 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.0 t -80.31 114.84 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 125.0 1.32 . . . . 0.0 109.92 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.33 176.16 7.91 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.06 1.344 . . . . 0.0 110.046 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER 48.51 59.85 4.06 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 126.795 2.038 . . . . 0.0 110.392 179.721 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 63.4 -15.55 0.07 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.905 2.482 . . . . 0.0 113.982 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 53' ' ' ASP . . . 135.33 0.04 3.44 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 127.254 2.359 . . . . 0.0 111.654 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -82.62 -18.33 41.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.171 1.486 . . . . 0.0 112.142 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.3 m -124.05 101.23 7.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 119.907 1.23 . . . . 0.0 110.762 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.3 mt -93.03 110.29 21.76 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 102.195 -3.261 . . . . 0.0 102.195 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -92.9 92.91 8.11 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.1 mt -86.94 132.86 31.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 124.406 1.082 . . . . 0.0 108.112 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.49 109.48 9.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -70.43 147.0 49.97 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 121.886 -0.509 . . . . 0.0 110.366 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.01 -40.29 8.93 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.593 1.957 . . . . 0.0 106.987 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -123.19 156.72 34.55 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 123.699 0.8 . . . . 0.0 110.571 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -97.08 161.71 13.7 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.838 1.255 . . . . 0.0 111.219 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.1 m -143.48 169.71 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 128.498 2.719 . . . . 0.0 107.778 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -123.2 125.88 45.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.126 -2.176 . . . . 0.0 105.126 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.5 mt -126.14 120.97 58.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -109.14 131.86 54.67 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 124.006 0.923 . . . . 0.0 110.864 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.11 110.48 22.76 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 126.634 1.974 . . . . 0.0 109.494 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -90.08 109.75 20.79 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 102.456 -3.164 . . . . 0.0 102.456 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -109.26 131.57 54.94 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.865 0.866 . . . . 0.0 112.746 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.2 122.64 54.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 128.745 2.818 . . . . 0.0 107.908 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -97.86 151.13 20.55 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.7 -10.2 50.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.68 0.392 . . . . 0.0 110.122 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -74.64 -10.24 59.35 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.978 1.311 . . . . 0.0 112.11 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.0 32.34 14.75 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 108.217 -1.953 . . . . 0.0 108.217 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.6 m -130.94 140.13 50.14 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 127.672 2.389 . . . . 0.0 107.134 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.1 p -122.92 169.34 11.24 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -150.36 148.99 29.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.813 0.845 . . . . 0.0 109.365 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -112.55 110.17 20.18 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.467 1.907 . . . . 0.0 106.221 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.18 143.36 46.41 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.67 158.42 44.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.42 -0.8 . . . . 0.0 110.027 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -137.73 153.4 49.76 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.823 1.249 . . . . 0.0 109.743 -178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -132.13 140.32 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.493 1.517 . . . . 0.0 107.443 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.1 -162.92 31.2 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.5 p -68.43 173.79 4.64 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 122.206 1.003 . . . . 0.0 108.731 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -68.33 -3.89 12.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.386 -1.446 . . . . 0.0 110.906 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -115.8 -4.29 12.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.811 1.644 . . . . 0.0 112.897 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -111.39 7.45 20.9 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.194 1.361 . . . . 0.0 113.722 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.33 -17.86 4.61 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.5 m -91.2 -42.55 10.36 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.88 1.673 . . . . 0.0 110.472 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -23.67 62.55 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -67.59 -49.51 62.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.41 94.11 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 118.902 -0.571 . . . . 0.0 110.864 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -72.36 -31.14 65.35 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.356 -0.83 . . . . 0.0 110.561 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.02 -44.25 55.12 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 120.0 1.273 . . . . 0.0 109.22 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -56.12 -43.39 78.1 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 124.934 1.293 . . . . 0.0 107.798 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.9 61.62 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 118.52 -0.752 . . . . 0.0 112.097 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.69 -34.72 77.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.541 1.064 . . . . 0.0 108.761 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -13.03 59.14 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.411 0.684 . . . . 0.0 110.292 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.2 mt -107.68 -9.47 15.83 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.357 1.863 . . . . 0.0 110.166 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.18 -42.9 99.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.99 -44.62 97.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.318 1.847 . . . . 0.0 110.544 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -77.49 -9.56 58.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.989 0.915 . . . . 0.0 112.803 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -133.35 -63.26 0.76 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.94 -178.69 31.49 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 128.207 2.813 . . . . 0.0 107.861 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -61.55 151.53 32.86 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 117.904 0.852 . . . . 0.0 110.425 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -124.67 171.57 9.96 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.886 1.274 . . . . 0.0 113.651 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 p -134.03 160.44 37.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.907 1.683 . . . . 0.0 108.168 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.3 145.97 18.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 O-C-N 121.432 -0.793 . . . . 0.0 109.612 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -118.6 108.73 15.31 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 105.31 -2.108 . . . . 0.0 105.31 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.7 t -81.0 114.54 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.82 -178.62 5.89 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.577 0.751 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.42 58.86 5.06 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 126.681 1.993 . . . . 0.0 111.177 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 59.77 17.1 6.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.888 2.075 . . . . 0.0 111.762 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.41 -4.88 67.25 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.682 2.087 . . . . 0.0 112.151 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -81.83 -12.67 58.4 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.8 m -120.4 102.91 8.79 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.0 mt -93.02 110.04 21.51 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 103.17 -2.9 . . . . 0.0 103.17 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -92.67 99.36 12.07 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.8 mt -98.04 134.63 35.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 123.372 0.669 . . . . 0.0 109.43 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -132.51 124.47 28.56 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.629 1.171 . . . . 0.0 108.323 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -89.96 163.41 14.96 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -118.88 -53.19 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.684 1.594 . . . . 0.0 110.534 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -178.715 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -152.9 67.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -151.61 148.9 28.53 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.0 m -124.75 174.33 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 124.851 1.26 . . . . 0.0 110.494 -178.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m -128.44 94.8 3.97 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.7 mt -93.33 131.06 41.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -104.33 124.71 49.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.39 110.45 22.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -86.84 135.1 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mp -125.56 135.24 52.02 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.099 0.959 . . . . 0.0 111.297 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mp -129.73 119.66 48.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 126.795 2.038 . . . . 0.0 106.712 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -102.18 148.05 25.89 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.6 -12.84 61.33 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.645 0.259 . . . . 0.0 110.62 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -75.45 25.59 0.1 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.425 2.29 . . . . 0.0 109.437 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.97 32.73 35.13 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 120.466 -1.396 . . . . 0.0 111.913 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -118.93 126.8 52.62 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.119 1.367 . . . . 0.0 110.511 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 p -110.35 138.01 47.31 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 126.261 1.824 . . . . 0.0 108.624 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -153.25 166.17 33.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.978 1.311 . . . . 0.0 109.058 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -146.68 152.26 38.57 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 120.269 -1.52 . . . . 0.0 107.769 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.73 147.13 51.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.309 -1.738 . . . . 0.0 106.309 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -132.09 136.77 47.4 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -125.63 163.61 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.834 1.254 . . . . 0.0 109.727 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -132.53 156.6 46.52 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 125.237 1.415 . . . . 0.0 107.808 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.0 -166.39 22.08 Favored Glycine 0 C--O 1.237 0.343 0 N-CA-C 108.704 -1.758 . . . . 0.0 108.704 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.7 p -68.59 161.42 28.05 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -51.87 -49.76 62.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.646 0.778 . . . . 0.0 112.769 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.14 -25.69 62.68 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 117.994 -1.003 . . . . 0.0 112.687 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -84.69 -23.11 29.54 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 120.485 1.493 . . . . 0.0 110.217 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.11 -18.38 55.75 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.012 -1.106 . . . . 0.0 108.012 177.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.9 m -86.6 -41.48 14.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.1 p -68.74 -25.4 64.72 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 119.418 1.008 . . . . 0.0 110.561 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -78.18 -48.48 15.77 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.451 1.1 . . . . 0.0 108.321 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.9 92.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.332 0.653 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -73.58 -30.94 63.32 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 118.976 -0.535 . . . . 0.0 110.717 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.6 -28.99 62.12 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.287 0.949 . . . . 0.0 108.841 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -68.87 -27.59 65.94 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.714 -1.241 . . . . 0.0 110.151 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.02 -28.38 61.41 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.992 -1.068 . . . . 0.0 108.822 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.95 -36.81 84.68 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.25 1.42 . . . . 0.0 111.204 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -79.33 8.76 5.54 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.146 -0.971 . . . . 0.0 111.296 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.8 mt -129.19 -18.24 3.71 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.277 1.431 . . . . 0.0 110.768 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -67.64 -53.79 25.03 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 126.491 1.916 . . . . 0.0 110.232 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -63.88 -14.85 56.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.562 0.745 . . . . 0.0 111.9 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -91.79 -49.64 6.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.823 1.249 . . . . 0.0 109.379 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -97.65 -76.32 0.52 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.695 1.198 . . . . 0.0 113.669 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.51 -176.1 47.89 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 126.611 2.053 . . . . 0.0 108.574 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -61.8 169.46 2.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 122.085 0.945 . . . . 0.0 111.425 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -145.54 166.43 25.72 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.74 0.816 . . . . 0.0 110.179 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.6 p -130.7 158.83 39.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 p -138.43 116.45 12.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.07 108.47 19.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.7 t -80.93 131.47 33.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 124.574 1.15 . . . . 0.0 108.41 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.96 172.89 12.06 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.585 1.154 . . . . 0.0 109.94 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 48.2 50.03 16.82 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 126.016 1.726 . . . . 0.0 109.806 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 59.2 9.6 1.4 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.881 2.073 . . . . 0.0 113.527 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.92 -8.23 16.62 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 126.367 1.937 . . . . 0.0 113.319 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -74.62 -5.97 45.98 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.121 1.461 . . . . 0.0 111.625 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.5 m -129.39 120.32 25.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 127.761 2.424 . . . . 0.0 105.956 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -125.98 110.0 13.09 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -100.43 94.59 6.24 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.668 0.787 . . . . 0.0 109.43 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -85.59 137.41 20.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 124.363 1.065 . . . . 0.0 109.286 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -134.96 120.5 19.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.421 1.088 . . . . 0.0 108.264 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -81.57 156.87 24.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.121 0.873 . . . . 0.0 109.249 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.15 -23.75 35.4 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 -179.291 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttt . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -106.07 170.89 7.65 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.76 153.45 51.71 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.54 173.69 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.775 0.83 . . . . 0.0 110.124 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.439 ' HG1' ' HG2' ' A' ' 23' ' ' GLU . 21.4 m -124.29 132.11 53.55 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.6 mt -123.92 130.99 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -110.26 124.52 51.77 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.25 116.5 32.08 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -90.97 125.51 35.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -119.18 134.45 55.2 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.053 0.842 . . . . 0.0 109.276 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.06 117.55 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 125.217 1.407 . . . . 0.0 108.924 -178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -88.85 139.41 30.49 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.51 -12.86 48.75 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.706 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -62.62 -21.61 65.79 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.196 2.198 . . . . 0.0 111.046 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.62 19.19 9.42 Favored Glycine 0 C--N 1.34 0.762 0 CA-C-N 118.696 0.68 . . . . 0.0 112.469 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 p -133.71 141.91 47.75 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.389 1.076 . . . . 0.0 108.899 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -112.46 164.95 12.68 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -143.34 166.19 25.44 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.235 1.414 . . . . 0.0 109.188 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 p -126.89 152.36 47.19 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.756 1.222 . . . . 0.0 108.49 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.43 149.12 20.34 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -146.34 152.62 39.41 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.75 142.92 36.76 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HG2' ' HG1' ' A' ' 5' ' ' THR . 40.6 mt-10 -131.87 128.57 38.92 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.831 1.652 . . . . 0.0 108.23 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.54 -156.56 27.55 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.3 p -69.59 163.22 25.98 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 121.231 0.539 . . . . 0.0 109.626 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -50.55 -52.04 42.45 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.638 1.175 . . . . 0.0 113.344 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.36 -26.68 52.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.592 0.633 . . . . 0.0 111.331 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -72.25 -23.81 61.27 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 118.703 0.683 . . . . 0.0 112.087 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.32 -17.59 23.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.4 m -81.16 -42.52 20.73 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.281 -0.887 . . . . 0.0 109.408 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -67.89 -25.37 65.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.099 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -79.11 -43.55 23.85 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.93 -25.26 60.67 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.155 -0.926 . . . . 0.0 113.123 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -101.87 -30.8 11.05 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.402 1.001 . . . . 0.0 109.805 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.39 73.44 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.53 1.059 . . . . 0.0 109.847 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -62.76 -38.39 90.41 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.116 0.966 . . . . 0.0 109.012 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -44.02 54.45 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.971 0.908 . . . . 0.0 108.937 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -55.01 -36.71 65.74 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.753 1.621 . . . . 0.0 111.72 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -12.71 60.94 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.347 -0.846 . . . . 0.0 111.796 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.5 mt -113.27 -11.47 13.21 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.064 1.746 . . . . 0.0 110.287 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.37 -36.82 85.39 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 126.894 2.078 . . . . 0.0 108.956 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.31 -21.8 64.75 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.555 -0.715 . . . . 0.0 110.033 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.15 -1.19 23.98 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.498 1.519 . . . . 0.0 114.614 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -145.52 -8.84 0.57 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 117.541 -1.219 . . . . 0.0 114.127 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.08 -167.19 39.52 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 120.934 1.697 . . . . 0.0 111.021 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -55.25 157.31 3.65 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.014 1.726 . . . . 0.0 112.714 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -150.33 167.0 28.32 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 125.713 1.605 . . . . 0.0 107.94 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.27 158.36 39.98 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 124.379 1.072 . . . . 0.0 108.371 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.44 141.69 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -118.24 129.74 55.65 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.8 t -95.09 128.89 45.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 123.853 0.861 . . . . 0.0 110.562 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.43 172.68 12.37 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.035 1.334 . . . . 0.0 108.616 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 51.19 44.53 28.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.529 1.532 . . . . 0.0 111.631 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 58.84 15.66 3.99 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.447 1.899 . . . . 0.0 112.379 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.44 -10.37 28.46 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-O 118.364 -1.242 . . . . 0.0 113.017 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -74.68 -15.78 60.79 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 120.082 1.941 . . . . 0.0 111.527 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.5 m -122.6 120.4 33.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.2 mt -120.25 110.25 16.36 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -95.99 101.77 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.3 mt -100.04 139.91 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 125.007 1.323 . . . . 0.0 107.865 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.21 125.29 27.49 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -84.79 149.81 25.48 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.71 -29.43 19.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 C-N-CA 126.685 2.088 . . . . 0.0 110.089 -179.067 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 119.196 -0.43 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.46 157.35 36.05 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.126 0.97 . . . . 0.0 110.996 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.98 167.1 17.23 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.911 0.862 . . . . 0.0 111.98 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -131.95 132.22 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 N-CA-C 102.715 -3.068 . . . . 0.0 102.715 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 m -100.32 98.02 8.72 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mt -98.24 111.45 27.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -92.7 131.08 38.09 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.221 1.408 . . . . 0.0 108.492 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.41 115.94 28.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.972 1.709 . . . . 0.0 108.334 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.35 133.92 35.03 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 mt -124.75 129.53 50.66 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -127.89 112.64 28.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -92.34 148.84 21.81 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.57 -20.89 66.12 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -76.81 -7.58 55.71 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.316 -0.85 . . . . 0.0 112.479 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.66 72.79 1.28 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -160.58 122.25 3.09 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.409 1.884 . . . . 0.0 106.913 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.9 p -114.44 140.79 48.41 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.381 0.537 . . . . 0.0 110.487 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -142.99 166.83 23.56 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.324 1.849 . . . . 0.0 110.798 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -136.83 135.45 37.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.453 1.901 . . . . 0.0 106.255 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.97 150.2 52.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -144.18 132.37 21.8 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -115.59 156.71 25.3 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.048 1.339 . . . . 0.0 109.766 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -132.39 139.26 48.01 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.23 -156.74 27.32 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 107.465 -2.254 . . . . 0.0 107.465 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.532 ' H ' ' HB3' ' A' ' 28' ' ' GLU . 28.0 p -89.31 176.09 7.08 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.848 1.259 . . . . 0.0 109.122 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -63.72 -17.38 62.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.227 0.611 . . . . 0.0 110.623 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -105.09 -16.12 14.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.999 1.32 . . . . 0.0 111.654 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HB3' ' H ' ' A' ' 25' ' ' THR . 26.7 tt0 -104.1 -20.9 13.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 117.343 -1.313 . . . . 0.0 113.456 -177.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.17 -13.22 19.85 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.59 1.541 . . . . 0.0 114.49 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -92.74 -43.01 9.27 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.228 1.377 . . . . 0.0 113.847 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -23.89 61.86 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.86 -37.62 88.24 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.57 -37.29 62.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.373 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -72.22 -31.05 65.5 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.273 0.942 . . . . 0.0 108.717 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.88 -28.91 62.78 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -72.44 -33.03 66.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.58 -30.28 61.65 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.871 -1.143 . . . . 0.0 110.055 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -58.63 -36.84 74.72 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.869 0.868 . . . . 0.0 111.992 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 t -71.31 -18.55 62.4 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.838 -1.164 . . . . 0.0 110.495 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.3 mt -96.44 -28.92 14.21 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 124.811 1.244 . . . . 0.0 110.68 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.41 -41.03 96.5 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.18 1.392 . . . . 0.0 109.899 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.52 2.27 1.36 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.219 1.807 . . . . 0.0 113.162 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -140.19 -30.56 0.67 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 120.939 -1.1 . . . . 0.0 113.275 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -95.74 -55.04 3.14 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.018 0.927 . . . . 0.0 111.695 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.18 -177.81 26.19 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.22 165.94 12.9 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -146.08 159.74 42.86 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.087 -1.008 . . . . 0.0 111.666 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.0 p -115.2 162.13 17.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.8 p -146.11 135.0 16.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.856 0.836 . . . . 0.0 109.186 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -111.29 109.02 18.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.8 t -87.42 123.93 40.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 125.508 1.523 . . . . 0.0 108.163 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.29 -175.78 4.67 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 124.876 1.27 . . . . 0.0 110.028 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t0 52.79 53.89 11.42 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.703 1.601 . . . . 0.0 110.729 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 58.77 16.97 4.81 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.251 1.02 . . . . 0.0 111.356 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.63 -1.97 64.33 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.516 1.531 . . . . 0.0 112.299 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -78.05 -5.43 51.4 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.4 1.6 . . . . 0.0 112.282 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.6 m -128.63 122.87 31.85 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -117.48 111.2 18.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -102.31 104.71 15.25 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.4 mt -97.5 141.38 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 124.656 1.182 . . . . 0.0 108.262 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -134.14 113.89 12.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -75.36 133.27 41.26 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.83 80.05 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.312 1.045 . . . . 0.0 109.758 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.863 -2.076 . . . . 0.0 109.767 179.809 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -52.41 158.99 1.08 Allowed 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.458 1.503 . . . . 0.0 111.027 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -67.3 170.19 7.64 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.981 0.913 . . . . 0.0 111.221 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.1 m -133.74 156.32 41.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 123.586 0.754 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -114.45 102.67 10.3 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -103.75 127.24 58.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -98.51 131.74 44.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.5 1.52 . . . . 0.0 112.204 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.28 110.94 20.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.353 1.461 . . . . 0.0 108.223 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -92.66 132.17 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mp -127.92 135.96 50.7 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.737 0.815 . . . . 0.0 109.639 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -127.07 125.9 67.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.6 141.65 32.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.18 1.392 . . . . 0.0 107.426 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.58 65.9 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.87 0.868 . . . . 0.0 110.136 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -60.03 -23.01 63.36 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.647 1.179 . . . . 0.0 111.36 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.03 47.33 1.26 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -158.45 157.49 32.32 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 125.023 1.329 . . . . 0.0 107.441 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p -130.08 173.26 10.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.946 0.898 . . . . 0.0 109.922 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -140.7 153.76 46.07 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 121.37 -0.831 . . . . 0.0 109.481 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -119.64 129.41 54.58 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.48 141.93 26.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -142.07 138.61 31.87 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -127.25 148.5 50.21 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.048 1.739 . . . . 0.0 108.993 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -122.94 149.41 44.3 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.638 1.175 . . . . 0.0 108.379 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.62 -161.08 28.35 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 p -70.04 165.88 20.93 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -61.42 -20.46 63.1 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.901 -1.124 . . . . 0.0 110.905 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -94.34 -11.84 29.2 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.861 1.664 . . . . 0.0 112.379 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -113.74 -23.32 9.75 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.81 -8.98 59.74 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.296 -1.502 . . . . 0.0 110.804 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -103.13 -41.55 6.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.596 1.559 . . . . 0.0 109.746 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -68.34 -25.0 64.88 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.398 0.999 . . . . 0.0 110.909 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.71 -37.98 82.99 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.68 -43.42 89.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.889 -0.507 . . . . 0.0 110.176 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -72.38 -29.9 64.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.854 0.752 . . . . 0.0 109.804 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.57 68.42 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -76.0 -31.86 59.14 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.086 -1.008 . . . . 0.0 109.359 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.21 62.42 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.736 -1.228 . . . . 0.0 109.892 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.51 -38.33 74.27 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.554 1.541 . . . . 0.0 113.01 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -69.14 -23.81 64.02 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.433 0.56 . . . . 0.0 109.89 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.92 -6.36 39.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.648 1.579 . . . . 0.0 112.129 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -69.62 -53.44 18.74 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.222 1.009 . . . . 0.0 108.439 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.01 -21.43 66.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.501 1.12 . . . . 0.0 112.044 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -87.55 -21.87 25.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.388 1.075 . . . . 0.0 112.578 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -131.85 -70.89 0.56 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 119.157 0.889 . . . . 0.0 113.144 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.57 -176.05 46.21 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.74 163.07 7.77 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.658 0.783 . . . . 0.0 111.2 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -150.33 170.08 19.87 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.471 -0.768 . . . . 0.0 112.311 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.6 p -135.47 163.39 30.16 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.224 1.81 . . . . 0.0 108.082 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 p -145.04 146.24 20.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 O-C-N 121.441 -0.787 . . . . 0.0 110.842 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -126.67 114.42 18.0 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.485 1.914 . . . . 0.0 108.83 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -81.04 133.79 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 124.751 1.221 . . . . 0.0 109.763 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.38 178.95 7.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.188 1.395 . . . . 0.0 110.184 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.7 t0 47.09 63.03 2.1 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 127.15 2.18 . . . . 0.0 112.965 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 57.24 6.01 0.32 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.133 1.373 . . . . 0.0 113.15 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.32 0.17 33.11 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.506 1.527 . . . . 0.0 111.145 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -81.44 -7.89 59.65 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.923 1.862 . . . . 0.0 112.063 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -127.69 132.97 49.59 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.541 1.136 . . . . 0.0 108.843 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -126.09 110.42 13.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 178.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -98.82 95.07 6.95 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mt -90.18 140.38 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 126.026 1.731 . . . . 0.0 108.391 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -134.31 124.58 26.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.208 1.803 . . . . 0.0 109.729 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -86.01 141.7 29.29 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.992 1.269 . . . . 0.0 108.676 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.41 -46.46 69.9 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.552 0 C-N-CA 124.645 1.117 . . . . 0.0 111.874 179.242 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 mtt . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -140.52 109.55 6.1 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 103.195 -2.891 . . . . 0.0 103.195 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 25.8 mp0 -50.5 135.05 23.21 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 125.86 1.664 . . . . 0.0 110.496 -177.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.2 m -109.89 174.97 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 126.602 1.961 . . . . 0.0 111.221 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -132.92 124.09 27.19 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 105.007 -2.219 . . . . 0.0 105.007 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.9 mt -126.06 118.51 51.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -92.8 109.36 20.79 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 121.246 -0.909 . . . . 0.0 108.723 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.55 117.39 24.42 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -96.99 131.65 43.59 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp -127.28 135.17 50.21 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.201 1.4 . . . . 0.0 110.374 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.3 mt -121.72 116.19 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 125.592 1.557 . . . . 0.0 108.015 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -100.77 145.32 28.66 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.95 -12.09 60.05 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -64.29 -4.72 4.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.71 2.004 . . . . 0.0 111.005 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.24 36.23 10.09 Favored Glycine 0 C--N 1.338 0.676 0 CA-C-N 119.004 0.82 . . . . 0.0 111.553 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -152.06 146.48 25.57 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 118.002 0.901 . . . . 0.0 109.529 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -112.64 140.25 47.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.481 1.513 . . . . 0.0 107.328 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -129.74 155.9 45.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -142.9 144.38 32.41 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.91 156.14 49.49 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -129.01 111.47 13.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.75 152.24 21.47 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.004 1.322 . . . . 0.0 109.391 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -132.97 166.52 22.18 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.732 1.613 . . . . 0.0 109.404 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.69 -162.13 20.88 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 107.771 -2.131 . . . . 0.0 107.771 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 p -75.35 168.06 20.71 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.516 1.658 . . . . 0.0 107.833 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -46.86 -50.24 18.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.128 1.371 . . . . 0.0 114.177 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -76.17 -26.99 56.77 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 117.899 -1.048 . . . . 0.0 113.54 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -86.41 -23.56 26.05 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.606 1.093 . . . . 0.0 110.965 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.3 -17.41 49.38 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -92.02 -40.48 11.07 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.692 1.197 . . . . 0.0 108.369 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -67.73 -25.38 65.62 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.293 -0.88 . . . . 0.0 112.197 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -74.75 -27.85 60.52 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.842 -0.536 . . . . 0.0 109.604 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.2 72.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -71.46 -31.4 67.12 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.54 81.23 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 120.114 1.325 . . . . 0.0 111.176 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -71.79 -39.55 69.84 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 121.308 -0.87 . . . . 0.0 111.055 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.73 -32.47 62.14 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.247 0.93 . . . . 0.0 110.492 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -59.58 -29.26 67.84 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 127.892 2.477 . . . . 0.0 113.036 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 t -92.15 0.55 57.46 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.651 0.78 . . . . 0.0 111.152 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -116.42 2.5 13.16 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.218 1.407 . . . . 0.0 112.746 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -68.58 -41.48 79.6 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.982 0.81 . . . . 0.0 109.51 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 -68.95 -21.88 64.16 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.099 -1.0 . . . . 0.0 110.465 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -86.32 -11.31 52.49 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 126.227 1.811 . . . . 0.0 110.845 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -140.8 -89.19 0.16 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.284 1.034 . . . . 0.0 108.388 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.02 -172.54 45.38 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 107.628 -2.189 . . . . 0.0 107.628 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.63 162.16 13.53 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.756 0.789 . . . . 0.0 110.814 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -141.11 170.12 16.32 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.883 1.273 . . . . 0.0 111.046 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 p -125.75 155.02 41.65 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 127.787 2.435 . . . . 0.0 106.452 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.83 135.23 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.807 0.813 . . . . 0.0 110.854 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.45 117.54 25.38 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.8 t -92.51 131.71 38.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 C-N-CA 124.879 1.272 . . . . 0.0 108.08 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.98 178.64 7.38 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 125.632 1.573 . . . . 0.0 110.096 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 55' ' ' GLY . 3.2 t70 51.89 53.73 12.1 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.488 1.515 . . . . 0.0 111.357 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 63.89 -7.26 0.21 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.047 1.739 . . . . 0.0 113.451 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 53' ' ' ASP . . . 130.09 -5.64 6.04 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 126.955 2.216 . . . . 0.0 111.445 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -80.57 -8.78 59.72 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.839 1.255 . . . . 0.0 113.497 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -124.54 124.74 42.92 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.8 mt -126.02 118.87 26.24 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 126.401 1.88 . . . . 0.0 106.179 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -106.48 103.85 13.41 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.2 mt -99.0 111.24 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -112.62 117.97 33.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -82.21 129.14 34.76 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.32 -18.41 65.16 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.8 -2.111 . . . . 0.0 110.175 -179.025 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.603 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.39 121.58 14.68 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 120.337 1.426 . . . . 0.0 107.458 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -55.34 157.2 3.82 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.484 1.114 . . . . 0.0 112.077 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.7 m -131.1 139.79 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 125.457 1.503 . . . . 0.0 109.859 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 m -90.6 124.56 35.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.2 mt -126.43 103.7 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -93.24 110.37 21.89 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.43 135.07 34.35 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.184 0.994 . . . . 0.0 110.152 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -102.68 125.92 49.59 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -127.27 124.63 39.27 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mp -119.59 121.55 66.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 125.64 1.576 . . . . 0.0 108.383 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -97.69 137.52 36.47 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.73 -14.47 52.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.109 1.364 . . . . 0.0 111.67 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -62.06 -19.14 62.6 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 127.488 2.315 . . . . 0.0 111.519 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.51 47.35 1.06 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -147.67 159.27 43.98 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.773 -1.428 . . . . 0.0 110.236 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.4 p -138.14 137.45 37.68 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.348 1.459 . . . . 0.0 107.506 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -134.92 166.29 23.36 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.277 1.031 . . . . 0.0 109.638 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.6 125.24 19.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.98 157.91 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.76 145.83 30.08 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.442 -0.786 . . . . 0.0 109.334 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -122.85 153.86 39.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 124.966 1.306 . . . . 0.0 110.151 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -133.04 109.51 9.58 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 126.139 1.776 . . . . 0.0 106.27 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.14 -173.6 44.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.6 p -72.91 169.06 17.66 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.396 1.098 . . . . 0.0 110.246 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -59.09 -19.17 41.94 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -104.93 -6.3 20.25 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.29 1.036 . . . . 0.0 111.742 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -113.92 -24.18 9.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.524 -178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.22 -18.59 38.71 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.77 -1.206 . . . . 0.0 109.752 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.8 m -90.15 -28.23 19.07 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.032 -1.043 . . . . 0.0 108.195 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.0 t -67.45 -26.13 66.24 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -84.64 -41.97 15.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.15 62.21 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.498 -0.763 . . . . 0.0 112.636 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -94.73 -30.0 14.5 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.718 1.145 . . . . 0.0 110.771 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.58 -37.33 73.93 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.785 1.175 . . . . 0.0 110.065 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -62.14 -31.87 72.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.752 1.221 . . . . 0.0 110.028 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.36 -27.08 60.51 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.635 -0.666 . . . . 0.0 110.522 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.15 -36.85 80.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.32 1.048 . . . . 0.0 113.193 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -68.63 -26.49 65.37 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.583 0.706 . . . . 0.0 109.931 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.6 mt -86.38 -15.13 41.37 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.548 1.139 . . . . 0.0 110.878 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -67.25 -36.18 81.09 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.315 1.046 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -75.33 -1.6 24.47 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.142 -0.974 . . . . 0.0 111.542 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -117.79 -37.04 3.51 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.468 1.507 . . . . 0.0 112.125 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -113.69 -16.76 12.26 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.626 1.17 . . . . 0.0 113.822 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.89 -165.77 32.13 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -54.72 152.59 6.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.666 1.222 . . . . 0.0 111.741 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -141.06 167.48 22.08 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.24 1.416 . . . . 0.0 109.769 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.6 p -129.45 161.16 31.02 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.815 1.246 . . . . 0.0 109.259 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -146.05 151.93 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-O 121.472 0.653 . . . . 0.0 109.623 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -126.2 118.7 25.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.8 t -98.53 120.17 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.39 -174.31 4.09 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 48.97 54.17 11.33 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.58 1.152 . . . . 0.0 109.346 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 54.84 9.54 0.3 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.698 1.999 . . . . 0.0 114.235 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.2 -10.04 28.99 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.289 1.423 . . . . 0.0 113.164 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -75.69 -14.47 60.35 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 118.56 1.18 . . . . 0.0 111.341 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.9 m -123.72 116.8 23.64 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.47 110.08 16.99 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -100.85 91.82 4.78 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mt -87.43 128.97 39.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -131.06 120.49 23.49 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -78.35 153.34 31.74 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.453 0.701 . . . . 0.0 109.674 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.88 -44.82 60.85 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.454 0.701 . . . . 0.0 110.864 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 C-N-CA 125.612 1.577 . . . . 0.0 111.594 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 mtp . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -127.52 145.71 50.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.176 0.991 . . . . 0.0 108.492 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -123.96 162.42 23.43 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.251 1.82 . . . . 0.0 107.308 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.7 m -140.06 162.7 24.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.344 1.058 . . . . 0.0 108.455 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -127.28 95.92 4.42 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.6 mt -93.36 131.56 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 126.846 2.058 . . . . 0.0 109.338 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -101.53 131.48 47.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.7 110.79 23.26 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 126.148 1.779 . . . . 0.0 106.743 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -98.54 124.2 43.16 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -127.17 135.21 50.37 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.38 1.072 . . . . 0.0 112.061 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.36 133.71 63.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 126.933 2.093 . . . . 0.0 108.81 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -113.0 143.22 44.68 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.78 -14.04 49.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.826 1.251 . . . . 0.0 110.903 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -67.0 -19.81 65.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.187 2.195 . . . . 0.0 111.636 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.57 -4.44 37.16 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.934 1.254 . . . . 0.0 112.528 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -99.14 157.16 16.55 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.436 1.095 . . . . 0.0 108.551 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -138.34 171.03 14.99 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.5 0.667 . . . . 0.0 109.309 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.32 166.12 34.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 121.218 -0.926 . . . . 0.0 109.471 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 m -146.45 142.79 28.48 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.14 163.98 32.02 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -148.28 143.08 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -126.51 148.95 49.63 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.717 1.607 . . . . 0.0 107.888 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.06 113.92 14.53 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.42 -161.42 28.09 Favored Glycine 0 C--O 1.24 0.521 0 CA-C-N 118.573 0.624 . . . . 0.0 111.594 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.2 p -67.16 162.81 21.6 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -64.05 -8.87 13.17 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.312 1.045 . . . . 0.0 112.215 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -115.26 -27.51 7.23 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.981 1.313 . . . . 0.0 111.65 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -81.63 -23.76 36.78 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 119.151 0.887 . . . . 0.0 109.846 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.87 -18.44 32.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.1 m -77.77 -41.73 36.49 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -69.44 -25.79 64.28 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 118.907 -1.117 . . . . 0.0 109.832 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.03 -46.04 31.34 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.59 -41.74 66.91 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.068 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -85.1 -31.2 23.47 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.079 0.854 . . . . 0.0 110.705 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.19 71.16 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.544 1.066 . . . . 0.0 111.181 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -68.55 -35.98 78.17 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.306 -0.871 . . . . 0.0 109.254 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -43.2 55.8 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -57.91 -37.08 73.4 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.486 1.114 . . . . 0.0 111.309 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -1.23 23.26 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.171 -0.956 . . . . 0.0 113.307 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.7 mt -126.86 -0.7 6.64 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.631 1.572 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -61.16 -53.06 61.74 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.9 1.68 . . . . 0.0 109.63 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -49.14 -45.83 44.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.477 1.511 . . . . 0.0 113.133 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.77 -17.6 60.61 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.136 1.374 . . . . 0.0 114.358 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -117.82 -57.88 2.07 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.78 -168.02 25.41 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 129.198 3.285 . . . . 0.0 106.94 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.71 170.3 2.05 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.707 0.765 . . . . 0.0 111.447 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -149.49 160.82 43.14 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.296 -0.877 . . . . 0.0 110.192 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.0 p -119.37 160.51 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.421 1.489 . . . . 0.0 108.131 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.2 t -139.75 131.65 33.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.15 123.29 49.26 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -80.16 131.74 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.938 1.295 . . . . 0.0 110.177 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.23 166.45 24.67 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 127.065 2.146 . . . . 0.0 110.105 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 46.21 50.72 11.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.857 2.463 . . . . 0.0 110.867 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 61.81 -6.23 0.13 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.927 2.091 . . . . 0.0 114.489 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.92 -10.75 3.93 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 126.74 2.114 . . . . 0.0 112.383 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -77.24 -7.9 56.7 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.8 m -132.46 95.05 3.54 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.1 mt -93.32 110.38 21.91 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -96.83 104.59 16.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mt -95.12 140.79 16.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -132.68 113.13 12.63 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.71 155.06 40.79 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.75 -40.6 20.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.11 0.964 . . . . 0.0 111.529 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 C-N-CA 124.604 1.097 . . . . 0.0 111.745 -179.621 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 mmt . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -138.8 156.39 47.38 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.134 1.774 . . . . 0.0 107.185 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.24 169.07 14.16 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.2 m -132.69 158.09 43.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 125.082 1.353 . . . . 0.0 108.727 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m -114.83 93.34 4.28 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.4 mt -91.07 131.85 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 121.292 -0.88 . . . . 0.0 108.81 -177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -102.65 131.97 49.07 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.373 1.869 . . . . 0.0 110.345 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.82 118.56 29.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -99.36 114.41 27.29 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 103.479 -2.785 . . . . 0.0 103.479 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -103.95 134.56 47.04 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 124.206 0.941 . . . . 0.0 110.174 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.55 133.34 67.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 126.905 2.082 . . . . 0.0 106.988 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -118.47 143.4 46.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.016 1.326 . . . . 0.0 107.673 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.43 -12.9 59.6 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.427 0.632 . . . . 0.0 109.75 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.08 -0.29 7.41 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.069 2.147 . . . . 0.0 110.814 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.7 22.49 61.8 Favored Glycine 0 C--N 1.342 0.874 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -114.1 145.61 41.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.846 1.659 . . . . 0.0 108.257 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.4 p -141.68 138.8 32.71 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -147.32 143.11 27.81 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.669 -0.644 . . . . 0.0 110.388 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 p -89.05 152.09 21.87 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.65 140.67 20.24 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -140.2 140.4 35.85 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -131.02 138.59 49.71 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.726 1.61 . . . . 0.0 107.082 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -124.42 114.23 19.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.714 1.206 . . . . 0.0 108.469 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.83 -165.5 31.84 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 107.658 -2.177 . . . . 0.0 107.658 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.0 p -67.9 173.93 4.1 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.732 1.266 . . . . 0.0 109.363 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -57.69 -16.89 12.21 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.212 1.005 . . . . 0.0 111.091 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -111.44 -27.31 8.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 117.149 -1.405 . . . . 0.0 111.734 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.91 -23.84 33.36 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 120.259 1.39 . . . . 0.0 110.708 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.27 -15.39 55.64 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.345 -0.847 . . . . 0.0 109.109 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.7 m -88.08 -41.87 12.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.97 0.908 . . . . 0.0 108.74 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -69.11 -25.03 64.21 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.599 1.091 . . . . 0.0 112.241 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.79 -30.99 56.69 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.959 0.799 . . . . 0.0 109.116 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.0 82.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -72.41 -30.54 64.73 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.27 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.5 87.67 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.248 -0.907 . . . . 0.0 109.76 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -62.44 -33.78 75.49 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.711 -0.618 . . . . 0.0 109.399 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.21 -40.52 62.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.441 0.697 . . . . 0.0 110.121 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.28 -30.73 60.69 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.385 1.074 . . . . 0.0 112.737 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.69 5.79 23.33 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.3 -0.875 . . . . 0.0 111.747 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.5 mt -121.22 -30.21 4.36 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.625 1.97 . . . . 0.0 110.321 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -47.12 -49.22 22.45 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 130.616 3.566 . . . . 0.0 114.355 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.42 -39.24 93.97 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.986 0.812 . . . . 0.0 112.654 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -5.67 55.55 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -119.33 -59.05 1.87 Allowed 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 123.478 0.711 . . . . 0.0 110.169 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.63 -163.34 24.97 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 125.729 1.633 . . . . 0.0 109.235 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.54 158.6 9.54 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.812 0.845 . . . . 0.0 110.772 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -139.32 168.01 20.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.45 1.1 . . . . 0.0 111.815 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 p -130.56 151.65 50.8 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.551 1.54 . . . . 0.0 109.318 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.6 t -142.24 139.84 29.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 124.016 0.926 . . . . 0.0 108.662 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -134.25 111.74 10.5 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.73 134.2 27.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 123.935 0.894 . . . . 0.0 109.454 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.12 -174.93 4.24 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.664 1.586 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 52.01 45.43 28.32 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.033 1.333 . . . . 0.0 110.313 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.23 8.78 0.6 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.174 2.19 . . . . 0.0 112.984 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.93 -3.35 11.71 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 125.854 1.692 . . . . 0.0 112.693 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -89.67 -2.7 58.36 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.782 1.791 . . . . 0.0 112.866 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.7 m -137.14 137.15 38.91 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 119.374 0.988 . . . . 0.0 109.169 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.3 mt -126.37 114.07 17.73 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 125.862 1.665 . . . . 0.0 108.586 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -83.53 97.96 9.3 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 104.202 -2.518 . . . . 0.0 104.202 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mt -110.33 130.71 63.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 119.171 0.896 . . . . 0.0 112.29 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -134.79 142.1 46.6 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.019 0.928 . . . . 0.0 110.407 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -91.83 129.43 37.79 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 103.325 -2.843 . . . . 0.0 103.325 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.43 -24.99 61.67 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 CA-C-O 115.339 -2.923 . . . . 0.0 109.885 -179.425 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -68.33 138.7 55.64 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.56 171.41 14.14 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 125.699 1.6 . . . . 0.0 108.527 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -143.07 174.37 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 126.45 1.9 . . . . 0.0 109.312 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.7 m -127.82 125.89 40.65 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 104.335 -2.469 . . . . 0.0 104.335 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.27 121.29 64.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -94.53 131.07 40.64 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.611 1.164 . . . . 0.0 109.939 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.49 115.97 23.84 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.409 1.484 . . . . 0.0 110.086 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -86.5 134.29 33.68 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.5 mt -118.11 129.83 55.77 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.51 123.39 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 127.096 2.158 . . . . 0.0 107.937 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -123.87 139.5 53.91 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.66 -15.09 6.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.731 1.612 . . . . 0.0 113.086 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -67.1 -1.73 4.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.266 1.826 . . . . 0.0 111.149 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.91 67.06 1.43 Allowed Glycine 0 C--N 1.341 0.853 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 p -160.42 139.48 10.61 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 p -131.81 126.78 35.18 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.78 167.35 20.71 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 126.316 1.846 . . . . 0.0 111.688 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.8 p -137.24 136.27 37.95 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.728 1.611 . . . . 0.0 109.434 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.58 145.7 51.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.42 112.85 12.5 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 125.346 1.458 . . . . 0.0 107.179 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -107.72 143.63 35.96 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.381 1.472 . . . . 0.0 107.304 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.34 156.12 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.467 1.107 . . . . 0.0 108.766 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.94 -163.9 26.19 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 107.816 -2.114 . . . . 0.0 107.816 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.432 ' HG1' ' CD ' ' A' ' 28' ' ' GLU . 50.6 p -67.72 162.44 23.79 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 178.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -50.59 -44.55 56.9 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 120.906 -1.121 . . . . 0.0 112.512 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -73.05 -25.27 60.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.467 0.707 . . . . 0.0 112.553 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.432 ' CD ' ' HG1' ' A' ' 25' ' ' THR . 77.0 mt-10 -88.82 -23.84 22.73 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.186 0.903 . . . . 0.0 111.603 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.86 -17.47 35.53 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.81 -0.556 . . . . 0.0 110.281 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.2 m -89.84 -42.06 11.47 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.0 t -72.67 -25.33 61.22 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-O 118.086 -0.959 . . . . 0.0 111.348 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.32 -40.16 81.76 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 120.13 1.332 . . . . 0.0 108.809 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.92 81.83 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.006 0.922 . . . . 0.0 111.635 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -72.3 -30.24 64.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.806 0.73 . . . . 0.0 110.385 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.77 -35.62 64.99 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -66.39 -39.82 89.29 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 120.899 -1.126 . . . . 0.0 109.304 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.54 68.83 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.42 -0.8 . . . . 0.0 110.842 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -62.29 -37.75 86.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.845 0.858 . . . . 0.0 111.958 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -72.38 -16.45 61.86 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 120.956 -1.09 . . . . 0.0 111.677 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.9 mt -96.18 -7.61 35.3 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.643 0.777 . . . . 0.0 110.788 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.57 -47.48 72.65 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.032 1.333 . . . . 0.0 108.036 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.3 -22.02 65.7 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.673 1.589 . . . . 0.0 112.156 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -105.0 -18.23 14.23 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.294 1.038 . . . . 0.0 113.419 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -127.28 -44.97 1.55 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.105 1.32 . . . . 0.0 114.116 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.65 -174.29 23.1 Favored Glycine 0 C--N 1.333 0.384 0 CA-C-N 120.2 1.364 . . . . 0.0 112.27 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -62.38 159.3 15.63 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.811 0.815 . . . . 0.0 108.933 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -147.57 162.43 39.12 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.177 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.6 p -127.96 164.36 22.47 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.365 1.866 . . . . 0.0 107.28 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.4 p -145.27 131.58 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.869 0.843 . . . . 0.0 109.234 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -112.88 116.73 30.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.7 t -82.13 134.88 26.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.39 174.34 10.73 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.327 1.051 . . . . 0.0 109.68 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 55' ' ' GLY . 3.0 m-20 36.12 67.93 0.27 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.667 2.787 . . . . 0.0 111.799 178.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 67.12 -27.33 0.13 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 129.527 3.131 . . . . 0.0 113.508 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 53' ' ' ASP . . . 140.34 -3.25 2.4 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 128.958 3.17 . . . . 0.0 111.377 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -72.67 -16.18 61.69 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.148 1.779 . . . . 0.0 113.523 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -130.26 125.71 35.49 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.5 mt -113.63 131.51 56.1 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 124.528 1.131 . . . . 0.0 109.184 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -108.7 91.61 3.72 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.1 mt -90.82 140.17 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -134.64 123.19 23.37 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.17 0.988 . . . . 0.0 108.631 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -89.29 144.64 25.94 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.13 88.89 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.484 1.114 . . . . 0.0 111.247 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 117.385 -1.786 . . . . 0.0 111.71 179.328 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 m . . . . . 0 C--O 1.238 0.469 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.4 m -123.17 131.79 53.82 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.542 1.937 . . . . 0.0 106.001 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.6 mt -126.08 131.76 71.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 124.695 1.198 . . . . 0.0 108.281 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HE2' ' OE2' ' A' ' 21' ' ' GLU . 2.6 tppp? -92.48 120.53 33.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 126.12 1.768 . . . . 0.0 107.907 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.09 110.31 20.52 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -94.51 132.17 39.46 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mp -127.11 126.58 43.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 118.995 0.816 . . . . 0.0 110.662 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.86 131.69 66.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 125.443 1.497 . . . . 0.0 109.238 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -111.94 149.5 31.82 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.37 -12.92 61.42 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.071 0.462 . . . . 0.0 110.429 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -64.82 3.23 0.57 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.389 2.275 . . . . 0.0 112.788 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.33 36.02 46.18 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-N 120.35 1.432 . . . . 0.0 112.19 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 t -149.31 142.74 25.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.4 p -116.91 158.27 24.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.4 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -149.64 162.89 39.32 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.081 1.753 . . . . 0.0 106.907 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -146.19 151.78 38.17 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.59 148.47 44.19 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 105.707 -1.961 . . . . 0.0 105.707 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.438 ' OE2' ' HE2' ' A' ' 7' ' ' LYS . 91.8 mt-10 -133.42 114.06 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 -178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -107.4 149.11 28.26 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.286 1.034 . . . . 0.0 110.061 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -130.97 133.46 45.83 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 127.399 2.28 . . . . 0.0 107.087 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.56 -157.92 28.09 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -71.92 170.54 13.54 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.06 -17.26 56.87 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.357 1.063 . . . . 0.0 110.466 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -111.8 -27.21 8.58 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 118.848 0.749 . . . . 0.0 110.952 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.91 -21.77 43.54 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 118.888 0.767 . . . . 0.0 109.72 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.16 -8.4 39.53 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 120.874 -1.141 . . . . 0.0 110.02 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.2 m -102.13 -42.62 6.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.118 0.967 . . . . 0.0 110.888 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 t -75.58 -24.55 56.62 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 119.171 0.896 . . . . 0.0 110.807 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -73.22 -40.23 64.87 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.97 88.55 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.192 0.997 . . . . 0.0 110.454 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -72.21 -29.65 64.17 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.631 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -32.47 66.58 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -63.45 -38.43 91.11 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.0 66.54 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.501 -0.75 . . . . 0.0 109.913 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.04 -36.97 83.19 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.206 1.002 . . . . 0.0 110.197 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.46 11.11 7.42 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.133 0.973 . . . . 0.0 111.657 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.2 mt -120.76 -28.0 4.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.248 1.419 . . . . 0.0 109.557 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.46 -40.94 88.51 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.696 1.134 . . . . 0.0 110.113 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.94 -16.15 48.79 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.994 1.318 . . . . 0.0 112.285 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.25 7.34 11.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.195 1.798 . . . . 0.0 111.072 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -136.38 -83.93 0.37 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.104 0.962 . . . . 0.0 111.726 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.74 -175.39 43.9 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 127.666 2.555 . . . . 0.0 108.028 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -57.99 161.91 3.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 117.856 0.828 . . . . 0.0 110.704 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -142.92 165.38 27.52 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.002 0.906 . . . . 0.0 111.787 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.35 157.72 41.8 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.881 1.673 . . . . 0.0 108.652 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.0 p -140.87 136.6 34.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.504 0.669 . . . . 0.0 110.367 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.98 110.9 20.31 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 126.826 2.051 . . . . 0.0 107.338 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.3 132.76 31.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.18 176.19 9.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.125 1.37 . . . . 0.0 108.934 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 36.28 68.32 0.26 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 128.262 2.625 . . . . 0.0 111.993 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 50.86 24.64 1.85 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.969 2.108 . . . . 0.0 115.127 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.5 -15.8 61.54 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 118.72 -1.044 . . . . 0.0 112.118 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -73.74 -4.4 34.31 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.052 1.341 . . . . 0.0 112.833 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.1 m -132.75 121.92 23.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.5 mt -121.61 110.42 15.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -97.29 106.23 18.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 mt -103.67 130.87 53.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -132.96 120.86 21.97 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.613 1.165 . . . . 0.0 108.386 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.49 140.63 34.47 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.01 -48.72 28.19 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.394 1.078 . . . . 0.0 109.774 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.341 0 CA-C-O 115.698 -2.723 . . . . 0.0 112.274 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -132.39 103.82 6.39 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -107.59 128.41 62.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -100.92 131.61 46.72 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.973 1.309 . . . . 0.0 110.673 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.16 112.26 25.07 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.403 1.481 . . . . 0.0 107.11 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -86.6 120.67 28.17 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 101.377 -3.564 . . . . 0.0 101.377 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.6 mt -112.16 110.96 21.52 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.316 1.447 . . . . 0.0 110.47 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.28 136.8 58.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 O-C-N 121.101 -0.999 . . . . 0.0 108.876 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.428 ' HA ' ' HB2' ' A' ' 62' ' ' PHE . 20.6 m-85 -128.28 147.1 50.58 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HB3' ' HA3' ' A' ' 64' ' ' GLY . . . -75.98 -2.64 31.47 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.32 -12.8 15.17 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 126.675 1.99 . . . . 0.0 111.044 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.45 21.62 8.25 Favored Glycine 0 C--N 1.341 0.855 0 C-N-CA 126.153 1.835 . . . . 0.0 113.496 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -142.74 158.33 43.75 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.29 2.045 . . . . 0.0 114.77 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.8 p -122.59 143.88 49.46 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.941 2.096 . . . . 0.0 107.115 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -151.47 159.29 44.25 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.551 1.54 . . . . 0.0 107.608 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.9 m -147.06 144.72 29.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.34 155.21 48.77 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.812 1.245 . . . . 0.0 107.863 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -131.86 135.59 46.81 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -124.72 144.69 50.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.475 1.51 . . . . 0.0 108.206 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mp0 -127.84 155.13 44.61 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.617 1.167 . . . . 0.0 109.13 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.82 -160.34 27.03 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p -64.12 170.55 3.56 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -58.13 -43.92 87.52 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.772 -1.205 . . . . 0.0 111.585 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -77.78 -26.17 49.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.411 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -80.91 -24.13 38.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.011 1.278 . . . . 0.0 111.917 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.28 -7.27 58.63 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.133 -0.979 . . . . 0.0 109.351 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.3 m -108.23 -41.86 4.78 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.962 1.305 . . . . 0.0 111.709 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.6 t -73.79 -25.6 60.21 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.316 0.962 . . . . 0.0 111.456 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.06 -40.88 74.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.749 0.704 . . . . 0.0 109.783 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.05 -48.78 72.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 124.114 0.965 . . . . 0.0 110.578 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -70.47 -29.35 65.88 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 118.579 -1.249 . . . . 0.0 109.612 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.86 85.5 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.755 1.161 . . . . 0.0 108.838 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -66.97 -46.71 73.83 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.28 77.95 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.25 -0.906 . . . . 0.0 110.822 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -66.71 -28.4 68.41 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.168 1.387 . . . . 0.0 109.899 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -89.62 -1.16 57.94 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.743 1.156 . . . . 0.0 111.513 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.3 mt -104.23 -29.54 10.74 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.834 1.254 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -21.95 66.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.425 0.557 . . . . 0.0 110.419 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.18 -3.34 1.76 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 130.197 3.399 . . . . 0.0 112.558 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -148.4 -31.35 0.27 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.445 1.498 . . . . 0.0 112.047 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -82.14 -69.27 0.63 Allowed 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.34 -178.02 32.2 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 128.009 2.718 . . . . 0.0 107.069 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.16 162.03 20.68 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.346 1.07 . . . . 0.0 111.843 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -140.52 159.01 43.13 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.427 1.491 . . . . 0.0 111.59 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.9 p -116.38 161.66 18.72 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -141.62 153.15 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 O-C-N 121.41 -0.806 . . . . 0.0 109.906 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -133.32 119.0 19.17 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.196 1.398 . . . . 0.0 107.248 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.48 119.88 30.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.02 178.17 7.71 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.445 0.698 . . . . 0.0 109.71 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 48.02 53.19 11.95 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.917 1.687 . . . . 0.0 110.046 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 57.6 16.21 3.27 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.083 2.153 . . . . 0.0 113.835 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.81 -5.25 56.53 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.853 1.216 . . . . 0.0 111.536 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -77.69 -11.18 59.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.801 1.3 . . . . 0.0 111.335 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.3 m -133.94 122.47 23.15 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.195 0.998 . . . . 0.0 109.543 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.34 111.28 22.03 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -93.87 100.9 12.99 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.7 mt -99.0 134.83 36.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 124.655 1.182 . . . . 0.0 109.182 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -130.17 105.34 7.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.047 1.339 . . . . 0.0 110.255 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 12' ' ' PHE . 12.2 m-85 -77.19 117.97 19.24 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 178.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.64 -41.89 2.35 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.725 2.01 . . . . 0.0 114.614 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.468 ' HA3' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.246 0.883 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m -120.64 119.09 31.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 103.548 -2.76 . . . . 0.0 103.548 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -116.32 120.03 63.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -92.66 131.26 37.9 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.11 0.964 . . . . 0.0 109.916 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.61 122.3 42.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.871 1.668 . . . . 0.0 107.746 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -92.83 133.96 35.55 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -126.84 123.64 37.78 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.593 1.088 . . . . 0.0 112.188 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.39 132.24 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 127.247 2.219 . . . . 0.0 108.671 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -125.03 142.37 51.54 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.61 -11.07 21.98 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.6 1.16 . . . . 0.0 112.684 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -66.98 -7.22 20.77 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.842 0.857 . . . . 0.0 110.916 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.57 50.54 2.52 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 107.449 -2.26 . . . . 0.0 107.449 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 m -142.39 140.18 31.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.206 1.402 . . . . 0.0 111.339 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.3 p -135.36 127.35 29.63 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -139.88 166.75 23.8 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.145 2.178 . . . . 0.0 108.146 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.4 p -135.0 152.4 51.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.62 141.09 31.86 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -131.42 130.28 42.34 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -121.01 140.48 51.86 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -122.79 137.31 54.96 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.737 1.215 . . . . 0.0 108.175 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.05 -162.9 32.05 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 106.841 -2.503 . . . . 0.0 106.841 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 p -71.52 174.99 5.91 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 118.593 -1.243 . . . . 0.0 108.878 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -48.25 -49.35 33.67 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.703 0.801 . . . . 0.0 111.8 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -79.59 -26.93 41.15 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -78.55 -22.57 47.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.735 0.698 . . . . 0.0 110.489 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.27 -4.57 48.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.721 0.808 . . . . 0.0 110.367 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.4 m -107.97 -42.62 4.63 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.636 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -72.34 -24.71 61.33 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.404 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -67.49 -42.01 83.62 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.08 88.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.472 0.709 . . . . 0.0 111.113 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -73.07 -29.27 62.83 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.12 -40.15 53.48 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -58.36 -38.9 78.17 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.265 1.026 . . . . 0.0 108.804 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.65 63.36 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.722 -0.611 . . . . 0.0 112.028 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -68.99 -37.56 78.8 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.509 1.504 . . . . 0.0 108.403 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -11.93 61.24 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.493 1.117 . . . . 0.0 110.866 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -102.21 -26.03 13.48 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.87 1.268 . . . . 0.0 109.683 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.72 -44.6 93.12 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.466 1.506 . . . . 0.0 108.513 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.95 -11.16 25.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.554 1.542 . . . . 0.0 111.385 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -117.57 -9.6 10.77 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.211 1.404 . . . . 0.0 113.447 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -129.91 -71.95 0.59 Allowed 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.439 1.096 . . . . 0.0 112.781 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.83 -176.73 40.58 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 127.38 2.419 . . . . 0.0 108.581 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -61.88 163.86 7.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 122.146 0.974 . . . . 0.0 109.891 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -146.45 171.29 15.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.668 0.747 . . . . 0.0 111.868 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 p -130.45 168.71 16.57 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 127.173 2.189 . . . . 0.0 106.493 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.7 p -147.23 119.19 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 121.122 -0.986 . . . . 0.0 108.899 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.56 109.02 21.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.95 134.55 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.348 1.059 . . . . 0.0 109.91 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.85 171.36 14.16 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.598 1.159 . . . . 0.0 110.081 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 50.31 49.54 20.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 125.792 1.637 . . . . 0.0 108.567 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 62.03 -10.32 0.08 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 128.332 2.653 . . . . 0.0 113.987 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 143.0 -14.83 2.37 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.163 1.84 . . . . 0.0 112.401 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -69.09 -9.71 54.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.565 1.682 . . . . 0.0 113.876 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.5 m -133.25 113.87 13.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.2 mt -110.37 110.06 20.71 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -93.73 100.51 12.71 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.81 140.13 16.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -134.73 114.16 12.4 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 125.151 1.381 . . . . 0.0 108.042 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -90.63 144.94 25.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.934 1.243 . . . . 0.0 110.842 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.05 75.18 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.707 0.803 . . . . 0.0 109.989 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.918 0 C-N-CA 124.026 0.822 . . . . 0.0 111.187 179.65 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.28 137.44 51.78 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.8 mt -126.37 132.34 70.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 126.417 1.887 . . . . 0.0 106.738 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -110.67 109.43 19.69 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 120.983 -1.073 . . . . 0.0 108.994 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.04 109.1 21.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -90.68 133.96 34.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 103.733 -2.691 . . . . 0.0 103.733 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mp -123.85 134.32 53.61 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.157 0.89 . . . . 0.0 110.885 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -129.27 125.38 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 125.706 1.602 . . . . 0.0 108.21 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -110.23 143.22 40.71 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.95 -21.0 42.0 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -65.53 -12.59 54.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.837 1.255 . . . . 0.0 111.869 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.82 7.05 56.86 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 m -86.57 132.28 33.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.208 1.803 . . . . 0.0 106.526 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.6 p -132.25 150.57 52.13 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -144.0 153.31 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.53 0.732 . . . . 0.0 110.231 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 143.61 44.8 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 104.289 -2.486 . . . . 0.0 104.289 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.31 135.47 13.06 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -124.93 133.47 53.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -120.03 137.12 54.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -122.15 122.95 40.39 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.848 1.659 . . . . 0.0 107.035 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.66 -162.32 36.08 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 109.084 -1.607 . . . . 0.0 109.084 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.9 p -69.01 165.68 19.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -58.41 -35.75 72.53 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.259 -0.901 . . . . 0.0 110.114 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -83.42 -27.41 29.59 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 117.202 -1.38 . . . . 0.0 112.418 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -85.18 -23.84 28.17 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 120.842 1.655 . . . . 0.0 111.712 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.23 -4.19 54.74 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.499 -0.751 . . . . 0.0 109.364 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.4 m -108.17 -42.22 4.69 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.182 1.793 . . . . 0.0 109.861 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.2 p -72.36 -25.49 61.55 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 120.181 1.355 . . . . 0.0 111.137 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -74.16 -33.74 63.58 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.38 67.6 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.037 1.335 . . . . 0.0 111.264 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -71.38 -29.25 64.73 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.22 -48.15 71.52 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 120.933 -1.104 . . . . 0.0 109.105 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -57.95 -36.46 72.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.263 0.625 . . . . 0.0 109.519 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.16 61.73 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.223 -0.923 . . . . 0.0 111.847 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.03 -37.31 79.4 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.114 1.765 . . . . 0.0 112.339 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -73.01 -11.69 60.66 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.2 mt -101.86 -9.71 20.5 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.839 1.256 . . . . 0.0 110.901 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.09 -37.87 88.9 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.426 1.49 . . . . 0.0 109.611 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -73.0 -17.08 61.49 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.314 1.446 . . . . 0.0 111.996 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.22 -6.3 19.89 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.081 1.753 . . . . 0.0 111.638 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -138.69 -74.59 0.38 Allowed 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 120.747 -1.22 . . . . 0.0 109.748 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.15 -160.0 30.11 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -60.34 162.8 5.71 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.418 1.087 . . . . 0.0 110.654 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -157.96 169.58 24.26 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.401 1.08 . . . . 0.0 111.37 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.0 p -139.46 157.86 45.12 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.6 t -133.39 127.95 54.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 O-C-N 121.737 -0.602 . . . . 0.0 109.676 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -89.28 138.41 31.46 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 t -115.47 115.37 49.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.09 175.84 9.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.425 1.09 . . . . 0.0 108.974 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.19 39.36 28.88 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.061 0.945 . . . . 0.0 111.466 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 67.63 6.4 4.98 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.01 2.124 . . . . 0.0 110.831 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.19 -10.35 24.6 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.458 1.98 . . . . 0.0 110.976 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.47 -4.7 31.96 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.244 1.022 . . . . 0.0 111.69 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.1 m -131.76 101.33 5.42 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.09 110.66 22.99 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 103.743 -2.688 . . . . 0.0 103.743 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -99.21 97.31 8.41 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.3 mt -84.9 128.42 38.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.789 1.635 . . . . 0.0 108.73 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -134.03 121.74 22.0 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -78.97 144.64 34.57 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.0 82.02 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 126.143 1.777 . . . . 0.0 114.67 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.326 0 C-N-CA 124.601 1.096 . . . . 0.0 111.654 -179.416 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.5 m -116.48 115.08 25.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.7 mt -111.68 131.93 61.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 127.177 2.191 . . . . 0.0 107.536 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -114.44 131.37 56.63 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.649 1.18 . . . . 0.0 110.596 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.5 110.86 19.88 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -92.66 109.78 21.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 103.87 -2.641 . . . . 0.0 103.87 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.01 136.03 34.73 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 126.771 2.028 . . . . 0.0 109.202 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.3 mt -129.15 126.36 64.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 126.977 2.111 . . . . 0.0 106.741 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -119.22 138.76 52.75 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.77 -15.94 59.92 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.234 1.413 . . . . 0.0 109.789 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -60.59 -14.71 21.78 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 129.022 2.929 . . . . 0.0 112.332 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.22 35.2 4.26 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -152.74 175.51 12.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.227 -1.161 . . . . 0.0 111.463 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.3 p -142.63 161.18 38.75 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 128.434 2.694 . . . . 0.0 107.222 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -152.54 160.93 43.19 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.136 1.374 . . . . 0.0 107.697 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -130.22 145.79 51.77 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.46 147.38 43.18 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -139.88 137.85 35.2 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -128.99 134.38 48.14 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 125.574 1.55 . . . . 0.0 107.33 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -124.77 109.87 13.62 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.516 1.926 . . . . 0.0 106.451 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.54 -162.31 30.84 Favored Glycine 0 C--O 1.238 0.401 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.9 p -64.17 154.58 34.33 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 107.059 -1.459 . . . . 0.0 107.059 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -55.2 -34.03 63.56 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 120.826 -1.171 . . . . 0.0 111.241 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -80.75 -27.48 36.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.352 -0.832 . . . . 0.0 112.399 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -89.85 -24.26 21.45 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 119.128 0.876 . . . . 0.0 111.222 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.81 -12.51 59.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.366 -0.834 . . . . 0.0 109.043 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.3 m -103.27 -41.94 5.89 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.826 1.25 . . . . 0.0 108.624 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -68.34 -25.27 65.01 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 119.061 0.846 . . . . 0.0 110.94 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -85.86 -30.33 23.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.603 -0.686 . . . . 0.0 109.719 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.18 -46.72 82.75 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.299 1.04 . . . . 0.0 111.613 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -71.75 -30.62 65.79 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.132 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.67 74.0 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.171 0.51 . . . . 0.0 109.778 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -66.46 -33.85 76.61 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.409 -0.807 . . . . 0.0 109.187 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -44.78 46.46 Favored 'General case' 0 C--O 1.223 -0.332 0 O-C-N 121.377 -0.827 . . . . 0.0 109.084 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.92 -36.37 48.81 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 127.003 2.121 . . . . 0.0 115.238 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -65.25 -26.67 68.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.436 1.016 . . . . 0.0 111.025 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.05 -10.82 54.3 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 125.271 1.429 . . . . 0.0 110.657 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.95 -30.87 71.89 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.079 1.351 . . . . 0.0 111.066 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.33 -4.23 44.03 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.807 0.843 . . . . 0.0 111.83 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -123.32 -32.64 3.38 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.669 1.587 . . . . 0.0 113.064 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -114.59 -12.58 12.23 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.803 1.241 . . . . 0.0 112.937 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.72 -170.24 43.74 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 119.149 0.886 . . . . 0.0 111.303 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.68 159.76 8.22 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 122.805 1.288 . . . . 0.0 111.607 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -134.89 175.17 9.81 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 126.062 1.745 . . . . 0.0 109.661 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.0 p -130.12 148.71 51.99 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 128.018 2.527 . . . . 0.0 105.686 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -138.5 149.66 24.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -129.78 109.93 11.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.358 1.863 . . . . 0.0 106.772 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.51 101.8 8.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.65 179.36 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.152 1.381 . . . . 0.0 110.771 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t70 50.61 60.52 3.8 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.415 1.486 . . . . 0.0 111.219 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 57.46 3.55 0.18 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.973 2.109 . . . . 0.0 113.802 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.64 30.54 4.28 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.324 1.44 . . . . 0.0 110.637 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -125.68 5.61 7.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.806 1.303 . . . . 0.0 112.685 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.0 m -135.54 117.72 15.51 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.3 mt -117.43 110.54 18.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.7 114.45 26.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 102.376 -3.194 . . . . 0.0 102.376 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mt -112.26 127.9 69.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.681 1.592 . . . . 0.0 108.776 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -132.86 135.14 45.43 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.497 1.119 . . . . 0.0 109.308 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -98.53 146.44 25.78 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.134 1.374 . . . . 0.0 108.371 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.16 86.73 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 110.603 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.695 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.899 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -130.39 122.58 28.09 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 103.464 -2.791 . . . . 0.0 103.464 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mt -118.8 131.45 71.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 131.12 38.34 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.12 110.6 17.26 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.87 0.868 . . . . 0.0 110.334 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -91.75 128.25 37.52 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mp -127.49 134.15 49.82 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.6 125.86 62.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 124.483 1.113 . . . . 0.0 109.46 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -99.87 143.54 29.97 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.06 -9.96 44.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.558 0.743 . . . . 0.0 109.943 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -64.73 -18.16 64.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 128.995 2.918 . . . . 0.0 112.918 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.35 31.85 6.98 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 109.864 -1.295 . . . . 0.0 109.864 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.2 m -139.89 130.9 26.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.557 1.543 . . . . 0.0 108.89 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.1 p -113.41 158.09 21.09 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -146.7 145.45 30.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.126 -0.984 . . . . 0.0 110.466 -178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.95 135.92 40.64 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 126.403 1.881 . . . . 0.0 106.885 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.87 157.56 43.31 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -154.87 151.66 28.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -136.27 145.22 45.34 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 125.19 1.396 . . . . 0.0 108.454 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.04 125.9 32.58 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.176 1.79 . . . . 0.0 109.377 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.1 -163.59 36.92 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 107.075 -2.41 . . . . 0.0 107.075 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 p -67.8 170.5 7.91 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.116 -1.226 . . . . 0.0 109.343 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.76 -30.58 61.5 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.176 0.99 . . . . 0.0 110.39 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -96.78 -25.73 15.39 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 117.687 -1.149 . . . . 0.0 112.88 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -79.32 -21.11 46.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.417 1.008 . . . . 0.0 110.719 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.72 1.0 40.01 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.917 0.887 . . . . 0.0 112.887 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.0 m -107.16 -42.41 4.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 120.053 1.297 . . . . 0.0 114.398 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.3 m -71.74 -24.21 61.74 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 121.473 1.942 . . . . 0.0 109.364 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.15 -39.52 89.88 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.38 89.6 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.932 -0.48 . . . . 0.0 110.088 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -72.52 -29.56 63.7 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.79 -36.15 75.47 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -64.27 -34.78 78.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.12 -41.72 57.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.588 0.755 . . . . 0.0 109.32 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.97 -36.16 74.38 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 126.38 1.872 . . . . 0.0 112.015 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.0 t -73.3 -6.16 44.27 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.567 -0.708 . . . . 0.0 110.557 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.9 mt -111.35 -10.77 14.21 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.477 1.911 . . . . 0.0 109.439 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.16 -16.56 63.66 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.371 1.868 . . . . 0.0 109.895 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.89 -2.64 56.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.704 2.001 . . . . 0.0 111.001 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -126.27 -29.32 3.01 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.565 1.146 . . . . 0.0 112.296 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -114.54 -34.28 5.28 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.184 0.993 . . . . 0.0 113.039 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.43 -158.15 16.02 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 119.637 1.108 . . . . 0.0 111.188 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -52.19 155.62 1.91 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.994 1.318 . . . . 0.0 113.151 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -145.99 168.41 20.95 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.847 1.659 . . . . 0.0 110.47 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -131.41 160.14 35.95 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.23 1.412 . . . . 0.0 109.149 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.3 p -147.7 143.28 19.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 O-C-N 121.729 -0.607 . . . . 0.0 111.547 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.53 109.19 12.92 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -83.43 112.94 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 105.2 -2.148 . . . . 0.0 105.2 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.3 -179.27 5.41 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.007 0.523 . . . . 0.0 110.282 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.49 59.69 4.4 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 126.166 1.786 . . . . 0.0 108.974 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 52.74 21.54 1.95 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.745 1.218 . . . . 0.0 113.185 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.7 -8.43 65.98 Favored Glycine 0 CA--C 1.532 1.145 0 O-C-N 120.932 -1.105 . . . . 0.0 113.029 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -80.35 -11.86 59.66 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.153 1.381 . . . . 0.0 114.235 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.7 m -130.23 101.22 5.69 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -93.59 116.08 28.58 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -101.55 100.28 10.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.6 mt -103.52 136.94 34.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 126.338 1.855 . . . . 0.0 108.958 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -134.83 140.95 46.24 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.814 1.646 . . . . 0.0 109.264 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -101.39 146.56 27.43 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.723 -1.236 . . . . 0.0 108.797 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.78 -34.3 39.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.398 0.618 . . . . 0.0 110.087 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.601 0 C-N-CA 126.698 2.094 . . . . 0.0 112.825 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 m . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 m -118.99 110.85 17.6 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 mt -110.48 121.62 63.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.796 1.639 . . . . 0.0 107.726 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -105.8 110.14 22.34 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.233 1.413 . . . . 0.0 110.03 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.62 129.47 34.84 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 120.792 -1.192 . . . . 0.0 109.688 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -86.42 128.98 35.01 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -126.42 122.11 34.37 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mt -129.11 148.39 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -127.46 140.93 51.83 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.71 -20.32 64.78 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.626 1.57 . . . . 0.0 110.873 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -63.94 -17.23 63.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.167 1.387 . . . . 0.0 110.732 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.16 48.36 1.73 Allowed Glycine 0 C--N 1.338 0.665 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 m -135.48 155.99 49.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.099 0.959 . . . . 0.0 110.208 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -137.95 137.82 38.34 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.642 1.177 . . . . 0.0 109.458 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -141.02 166.54 24.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 127.107 2.163 . . . . 0.0 109.231 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.3 m -142.78 134.83 27.17 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 105.01 -2.219 . . . . 0.0 105.01 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.69 135.48 53.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 103.855 -2.646 . . . . 0.0 103.855 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -120.32 136.83 54.56 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -123.28 152.78 41.03 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.638 1.575 . . . . 0.0 108.433 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.99 166.13 23.1 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 127.79 2.436 . . . . 0.0 105.595 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.87 -172.81 14.42 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.5 p -62.9 158.58 18.73 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.35 0.595 . . . . 0.0 109.625 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -50.15 -51.27 44.9 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.422 1.089 . . . . 0.0 111.698 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -70.79 -25.44 62.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -82.58 -23.4 34.45 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.538 1.063 . . . . 0.0 110.903 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.07 0.99 56.24 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.393 -0.817 . . . . 0.0 109.557 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.1 m -108.4 -42.3 4.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.652 1.181 . . . . 0.0 109.995 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 p -70.22 -24.94 63.18 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.173 0.897 . . . . 0.0 111.859 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -85.22 -36.89 20.68 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.49 85.18 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.963 -0.46 . . . . 0.0 109.779 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -73.06 -29.59 63.08 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.957 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.59 -36.93 73.82 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.526 1.057 . . . . 0.0 109.969 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -63.21 -32.12 73.44 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.303 -0.873 . . . . 0.0 109.334 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.5 -40.31 61.88 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.873 0.869 . . . . 0.0 109.54 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.58 -29.96 64.88 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -71.8 -30.12 65.18 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.239 1.381 . . . . 0.0 109.926 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.5 mt -79.89 -10.21 59.75 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.935 1.294 . . . . 0.0 112.302 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.21 -43.49 94.87 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.071 0.949 . . . . 0.0 108.851 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.59 -11.39 43.84 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.371 1.468 . . . . 0.0 112.734 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -113.71 -3.88 13.48 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 125.25 1.42 . . . . 0.0 112.966 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -139.12 -64.46 0.5 Allowed 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 119.376 0.989 . . . . 0.0 110.532 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.47 -161.88 28.73 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 107.022 -2.431 . . . . 0.0 107.022 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -61.68 160.6 11.32 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.331 0.586 . . . . 0.0 110.492 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 48.9 p-90 -143.44 167.35 22.39 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.959 1.304 . . . . 0.0 109.212 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 p -123.18 161.1 25.14 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.746 1.218 . . . . 0.0 108.916 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -146.33 146.47 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-O 121.466 0.651 . . . . 0.0 109.788 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -136.65 120.23 17.13 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.259 1.423 . . . . 0.0 107.813 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.2 t -80.73 122.94 36.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.95 -175.9 4.69 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.862 0.865 . . . . 0.0 109.236 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 t70 52.97 48.48 22.33 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.55 1.54 . . . . 0.0 111.071 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 63.03 9.41 3.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.322 1.449 . . . . 0.0 112.218 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.48 0.13 53.33 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 126.112 1.815 . . . . 0.0 111.242 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.97 -22.21 29.25 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 119.435 1.617 . . . . 0.0 111.526 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 m -131.23 103.1 6.28 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.551 0.691 . . . . 0.0 111.065 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.03 131.16 36.79 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 128.678 2.791 . . . . 0.0 106.442 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.46 92.43 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.479 1.512 . . . . 0.0 108.583 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.1 mt -93.34 133.45 34.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -133.95 141.36 47.27 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.636 0.774 . . . . 0.0 109.443 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -97.31 165.38 12.05 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.213 0.205 . . . . 0.0 110.837 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.0 -16.25 7.09 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 117.573 -1.682 . . . . 0.0 109.785 -178.857 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.239 0.502 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -122.78 95.3 4.57 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.9 mt -91.54 132.36 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 128.165 2.586 . . . . 0.0 108.303 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -102.0 119.32 38.61 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.922 2.089 . . . . 0.0 113.488 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.19 110.23 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -89.89 115.79 27.47 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.7 mt -111.61 134.83 52.92 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.978 1.311 . . . . 0.0 109.591 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.66 108.87 14.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 C-N-CA 129.549 3.14 . . . . 0.0 107.981 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -92.61 149.92 21.04 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.53 -12.56 53.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.177 0.591 . . . . 0.0 109.877 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -69.98 -6.52 33.84 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.314 1.845 . . . . 0.0 110.162 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.03 51.62 5.29 Favored Glycine 0 C--N 1.337 0.587 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -156.44 132.66 9.91 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.124 1.77 . . . . 0.0 106.792 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.5 p -110.76 153.32 25.5 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -141.62 143.0 33.43 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.876 0.87 . . . . 0.0 109.428 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.53 147.62 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.49 146.98 24.03 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.87 149.77 51.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -127.07 134.19 50.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -111.81 109.7 19.66 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 126.358 1.863 . . . . 0.0 107.308 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.19 -172.25 44.74 Favored Glycine 0 C--N 1.332 0.31 0 O-C-N 121.584 -0.697 . . . . 0.0 111.455 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -64.18 171.58 2.93 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 122.003 0.906 . . . . 0.0 109.387 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -68.36 -7.08 28.11 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.319 -0.863 . . . . 0.0 111.793 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -116.31 -25.82 7.39 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.051 -1.031 . . . . 0.0 111.955 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -82.53 -9.62 59.33 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.91 1.232 . . . . 0.0 111.643 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.32 -17.22 11.36 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.5 m -80.41 -43.48 20.93 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.575 1.534 . . . . 0.0 110.886 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 m -72.86 -23.22 60.72 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 121.032 -1.042 . . . . 0.0 108.921 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.04 -45.95 69.14 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.76 96.17 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.496 0.589 . . . . 0.0 109.692 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -72.42 -29.97 64.19 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 122.169 -0.332 . . . . 0.0 110.525 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.82 64.92 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 120.666 -1.271 . . . . 0.0 108.163 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.11 -32.8 73.42 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.89 49.96 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.555 0.742 . . . . 0.0 109.262 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.13 -36.79 71.11 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.712 1.605 . . . . 0.0 111.499 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -74.61 -10.33 59.44 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.969 0.804 . . . . 0.0 111.447 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.0 mt -101.09 -23.41 14.49 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.027 1.331 . . . . 0.0 109.778 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.98 -35.19 76.15 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 127.412 2.285 . . . . 0.0 110.713 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.12 -14.04 43.73 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.114 0.966 . . . . 0.0 112.699 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.87 -1.7 8.85 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.293 1.437 . . . . 0.0 112.243 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -135.62 -14.49 1.91 Allowed 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.07 -173.77 41.52 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -56.28 160.62 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 126.472 1.909 . . . . 0.0 112.841 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -144.61 -179.42 6.55 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.571 1.548 . . . . 0.0 111.407 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.7 p -138.9 151.83 47.26 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.114 1.765 . . . . 0.0 107.993 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 p -141.17 128.16 21.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 119.304 0.957 . . . . 0.0 109.254 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -104.42 114.79 29.25 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 104.335 -2.468 . . . . 0.0 104.335 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.87 115.49 30.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.44 -175.84 4.07 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.214 1.006 . . . . 0.0 110.498 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 56.57 41.35 28.69 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 67.37 4.46 3.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.027 2.131 . . . . 0.0 111.829 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.87 3.71 19.69 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 126.63 2.062 . . . . 0.0 111.473 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -86.83 -2.18 58.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.706 1.253 . . . . 0.0 112.111 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.6 m -132.49 130.53 40.59 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.7 mt -124.6 109.87 13.73 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -104.34 95.13 5.73 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.6 mt -92.7 135.75 26.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 125.187 1.395 . . . . 0.0 110.767 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -134.94 123.09 22.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.246 1.018 . . . . 0.0 109.658 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -87.31 152.22 22.46 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.23 -40.09 62.65 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.211 0.605 . . . . 0.0 110.164 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.814 0 CA-C-O 118.078 -1.401 . . . . 0.0 111.164 179.578 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.236 0.356 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.2 m -129.13 108.15 10.14 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.0 mt -108.91 132.08 57.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 126.843 2.057 . . . . 0.0 108.941 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -105.1 131.56 52.44 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 123.891 0.876 . . . . 0.0 109.562 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.5 110.66 20.18 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -97.04 129.02 44.54 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 101.713 -3.439 . . . . 0.0 101.713 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mp -118.79 135.68 54.39 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.687 1.195 . . . . 0.0 110.338 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.03 129.72 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.866 1.666 . . . . 0.0 106.708 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -114.2 149.05 36.36 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.264 1.026 . . . . 0.0 110.711 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.63 -13.74 62.34 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -59.08 -19.07 40.95 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.955 2.502 . . . . 0.0 110.853 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.92 45.87 3.26 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.264 -1.535 . . . . 0.0 109.264 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 p -165.19 167.41 18.11 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.671 -0.9 . . . . 0.0 110.435 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.2 p -126.42 167.27 15.79 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.685 1.594 . . . . 0.0 108.74 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -148.69 166.24 28.95 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 126.663 1.985 . . . . 0.0 108.972 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -147.01 148.05 31.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.13 140.32 27.92 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -120.41 119.78 34.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -112.05 146.66 37.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -132.19 149.61 52.35 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 125.231 1.413 . . . . 0.0 108.018 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.9 -154.22 22.1 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.8 p -74.21 163.81 27.38 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.838 0.828 . . . . 0.0 109.787 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.9 -13.17 5.59 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.125 2.17 . . . . 0.0 113.648 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -115.65 -26.0 7.63 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 118.094 -0.955 . . . . 0.0 111.735 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -81.67 -24.43 36.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.139 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.38 -18.39 36.29 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 120.729 -1.232 . . . . 0.0 110.34 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.6 m -88.1 -38.78 15.11 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 m -68.55 -25.54 64.97 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.776 -0.631 . . . . 0.0 109.848 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.72 -35.85 60.14 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.69 98.42 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.092 0.86 . . . . 0.0 109.596 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -72.53 -29.36 63.52 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.126 0.57 . . . . 0.0 111.383 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.65 -43.73 53.9 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.566 0.746 . . . . 0.0 109.153 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -61.85 -39.48 92.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.767 1.227 . . . . 0.0 108.755 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.08 -18.7 60.78 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.859 -0.525 . . . . 0.0 111.502 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.56 -37.23 82.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.289 0.949 . . . . 0.0 110.685 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.21 1.44 11.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.095 0.958 . . . . 0.0 110.329 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -116.4 -27.49 6.77 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 126.284 1.833 . . . . 0.0 108.055 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.31 -48.97 75.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.384 1.447 . . . . 0.0 108.821 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.97 -9.66 55.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.897 0.879 . . . . 0.0 112.88 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -115.46 -14.62 11.55 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.245 -0.909 . . . . 0.0 113.327 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -121.35 -48.41 2.2 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.867 1.267 . . . . 0.0 111.663 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.11 -166.94 24.27 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.09 165.53 3.33 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 122.319 1.057 . . . . 0.0 110.622 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -143.29 169.18 18.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 122.285 1.041 . . . . 0.0 112.086 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.7 p -128.11 144.91 51.14 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.66 147.82 33.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 122.326 1.06 . . . . 0.0 109.197 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.44 138.1 47.5 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.975 2.51 . . . . 0.0 105.389 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.6 p -116.48 128.42 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.48 -177.16 5.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.42 1.088 . . . . 0.0 110.625 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 55.16 41.75 31.26 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.079 1.351 . . . . 0.0 110.872 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 66.39 10.7 7.47 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.976 2.11 . . . . 0.0 111.788 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.19 -7.36 30.76 Favored Glycine 0 CA--C 1.523 0.594 0 C-N-CA 125.279 1.419 . . . . 0.0 111.484 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -77.9 -7.77 57.18 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.493 1.146 . . . . 0.0 111.674 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.2 m -132.95 136.14 45.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 119.343 0.974 . . . . 0.0 108.647 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.3 mt -125.95 131.83 52.2 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 126.086 1.754 . . . . 0.0 107.07 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -112.7 116.15 29.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.2 mt -111.68 128.86 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.543 -2.392 . . . . 0.0 104.543 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -133.25 107.97 8.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -68.82 141.61 55.09 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.52 81.06 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.828 0.851 . . . . 0.0 112.52 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.349 0 C-N-CA 125.97 1.748 . . . . 0.0 109.432 -179.283 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.4 m -125.55 141.21 52.16 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.007 1.323 . . . . 0.0 111.018 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.7 mt -126.69 119.94 54.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.979 2.112 . . . . 0.0 108.664 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -100.57 109.44 21.53 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 123.779 0.831 . . . . 0.0 109.351 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.97 113.78 23.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -97.96 128.81 44.76 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 102.288 -3.227 . . . . 0.0 102.288 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -127.22 135.55 50.79 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.382 0.673 . . . . 0.0 110.66 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.5 mt -121.21 124.7 72.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 125.788 1.635 . . . . 0.0 106.955 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -101.18 151.11 22.24 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -16.01 61.66 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.674 0.749 . . . . 0.0 109.931 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -66.49 -3.75 6.89 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.414 2.286 . . . . 0.0 111.211 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.78 31.74 55.34 Favored Glycine 0 C--N 1.338 0.644 0 O-C-N 120.678 -1.264 . . . . 0.0 111.554 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.6 156.81 47.14 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.1 p -123.23 177.95 5.34 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -156.03 163.05 40.17 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 m -144.97 144.24 30.94 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.99 113.14 7.53 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -96.8 110.76 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -107.8 148.16 29.89 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 126.366 1.866 . . . . 0.0 109.582 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -132.38 161.19 34.23 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.835 1.254 . . . . 0.0 108.323 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.05 -150.75 20.05 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 106.67 -2.572 . . . . 0.0 106.67 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 p -73.21 167.4 21.25 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -62.15 -45.68 92.34 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.99 -1.068 . . . . 0.0 108.594 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -72.1 -26.15 62.03 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.352 1.461 . . . . 0.0 113.119 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -87.98 -23.15 23.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 118.994 0.815 . . . . 0.0 112.112 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.35 -17.54 24.54 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.336 0.517 . . . . 0.0 109.822 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.6 m -75.26 -42.1 55.85 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.24 -24.04 62.11 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.415 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -65.77 -46.39 78.95 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.35 83.86 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.396 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -73.06 -29.07 62.7 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.541 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.57 -46.01 60.62 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -59.77 -32.5 70.64 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.692 1.197 . . . . 0.0 109.225 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.88 -49.37 20.63 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.746 1.218 . . . . 0.0 109.665 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.41 -37.42 70.15 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.922 1.689 . . . . 0.0 113.567 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 t -71.22 -25.66 62.6 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.274 0.943 . . . . 0.0 110.533 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -86.16 -16.32 38.23 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.558 1.143 . . . . 0.0 111.471 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.03 -30.01 71.11 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.225 1.41 . . . . 0.0 110.237 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.61 -10.5 59.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.009 1.324 . . . . 0.0 111.689 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -115.96 -53.74 2.54 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 125.027 1.331 . . . . 0.0 113.397 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -79.36 -63.32 1.44 Allowed 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.236 -0.29 . . . . 0.0 110.721 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.43 -163.69 28.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.589 -1.804 . . . . 0.0 108.589 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.96 166.64 1.91 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.005 0.922 . . . . 0.0 112.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -156.27 167.9 28.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.617 1.167 . . . . 0.0 111.082 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.2 p -130.73 162.22 29.96 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.613 1.565 . . . . 0.0 107.088 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 p -143.37 137.04 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -120.31 114.51 21.97 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.0 t -80.31 114.84 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 125.0 1.32 . . . . 0.0 109.92 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.33 176.16 7.91 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.06 1.344 . . . . 0.0 110.046 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 48.51 59.85 4.06 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 126.795 2.038 . . . . 0.0 110.392 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 63.4 -15.55 0.07 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.905 2.482 . . . . 0.0 113.982 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.33 0.04 3.44 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 127.254 2.359 . . . . 0.0 111.654 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -82.62 -18.33 41.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.171 1.486 . . . . 0.0 112.142 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.3 m -124.05 101.23 7.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 119.907 1.23 . . . . 0.0 110.762 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.3 mt -93.03 110.29 21.76 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 102.195 -3.261 . . . . 0.0 102.195 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -92.9 92.91 8.11 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.1 mt -86.94 132.86 31.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 124.406 1.082 . . . . 0.0 108.112 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.49 109.48 9.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -70.43 147.0 49.97 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 121.886 -0.509 . . . . 0.0 110.366 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.01 -40.29 8.93 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.593 1.957 . . . . 0.0 106.987 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.1 m . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -123.2 125.88 45.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.126 -2.176 . . . . 0.0 105.126 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.5 mt -126.14 120.97 58.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -109.14 131.86 54.67 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 124.006 0.923 . . . . 0.0 110.864 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.11 110.48 22.76 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 126.634 1.974 . . . . 0.0 109.494 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -90.08 109.75 20.79 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 102.456 -3.164 . . . . 0.0 102.456 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -109.26 131.57 54.94 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.865 0.866 . . . . 0.0 112.746 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.2 122.64 54.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 128.745 2.818 . . . . 0.0 107.908 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -97.86 151.13 20.55 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.7 -10.2 50.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.68 0.392 . . . . 0.0 110.122 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -74.64 -10.24 59.35 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.978 1.311 . . . . 0.0 112.11 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.0 32.34 14.75 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 108.217 -1.953 . . . . 0.0 108.217 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.6 m -130.94 140.13 50.14 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 127.672 2.389 . . . . 0.0 107.134 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.1 p -122.92 169.34 11.24 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -150.36 148.99 29.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.813 0.845 . . . . 0.0 109.365 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -112.55 110.17 20.18 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.467 1.907 . . . . 0.0 106.221 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.18 143.36 46.41 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.67 158.42 44.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.42 -0.8 . . . . 0.0 110.027 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -137.73 153.4 49.76 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.823 1.249 . . . . 0.0 109.743 -178.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -132.13 140.32 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.493 1.517 . . . . 0.0 107.443 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.1 -162.92 31.2 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.5 p -68.43 173.79 4.64 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 122.206 1.003 . . . . 0.0 108.731 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -68.33 -3.89 12.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.386 -1.446 . . . . 0.0 110.906 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -115.8 -4.29 12.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.811 1.644 . . . . 0.0 112.897 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -111.39 7.45 20.9 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.194 1.361 . . . . 0.0 113.722 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.33 -17.86 4.61 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.5 m -91.2 -42.55 10.36 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.88 1.673 . . . . 0.0 110.472 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -23.67 62.55 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -67.59 -49.51 62.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.41 94.11 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 118.902 -0.571 . . . . 0.0 110.864 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -72.36 -31.14 65.35 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.356 -0.83 . . . . 0.0 110.561 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.02 -44.25 55.12 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 120.0 1.273 . . . . 0.0 109.22 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -56.12 -43.39 78.1 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 124.934 1.293 . . . . 0.0 107.798 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.9 61.62 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 118.52 -0.752 . . . . 0.0 112.097 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.69 -34.72 77.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.541 1.064 . . . . 0.0 108.761 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -13.03 59.14 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.411 0.684 . . . . 0.0 110.292 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.2 mt -107.68 -9.47 15.83 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.357 1.863 . . . . 0.0 110.166 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.18 -42.9 99.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.99 -44.62 97.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.318 1.847 . . . . 0.0 110.544 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -77.49 -9.56 58.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.989 0.915 . . . . 0.0 112.803 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -133.35 -63.26 0.76 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.94 -178.69 31.49 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 128.207 2.813 . . . . 0.0 107.861 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -61.55 151.53 32.86 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 117.904 0.852 . . . . 0.0 110.425 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -124.67 171.57 9.96 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.886 1.274 . . . . 0.0 113.651 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 p -134.03 160.44 37.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.907 1.683 . . . . 0.0 108.168 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.3 145.97 18.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 O-C-N 121.432 -0.793 . . . . 0.0 109.612 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -118.6 108.73 15.31 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 105.31 -2.108 . . . . 0.0 105.31 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.7 t -81.0 114.54 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.82 -178.62 5.89 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.577 0.751 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.42 58.86 5.06 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 126.681 1.993 . . . . 0.0 111.177 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 59.77 17.1 6.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.888 2.075 . . . . 0.0 111.762 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.41 -4.88 67.25 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.682 2.087 . . . . 0.0 112.151 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -81.83 -12.67 58.4 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.8 m -120.4 102.91 8.79 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.0 mt -93.02 110.04 21.51 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 103.17 -2.9 . . . . 0.0 103.17 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -92.67 99.36 12.07 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.8 mt -98.04 134.63 35.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 123.372 0.669 . . . . 0.0 109.43 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -132.51 124.47 28.56 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.629 1.171 . . . . 0.0 108.323 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -89.96 163.41 14.96 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -118.88 -53.19 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.684 1.594 . . . . 0.0 110.534 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -178.715 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.233 0.221 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m -128.44 94.8 3.97 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.7 mt -93.33 131.06 41.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -104.33 124.71 49.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.39 110.45 22.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -86.84 135.1 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mp -125.56 135.24 52.02 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.099 0.959 . . . . 0.0 111.297 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mp -129.73 119.66 48.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 126.795 2.038 . . . . 0.0 106.712 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -102.18 148.05 25.89 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.6 -12.84 61.33 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.645 0.259 . . . . 0.0 110.62 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -75.45 25.59 0.1 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.425 2.29 . . . . 0.0 109.437 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.97 32.73 35.13 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 120.466 -1.396 . . . . 0.0 111.913 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -118.93 126.8 52.62 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.119 1.367 . . . . 0.0 110.511 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 p -110.35 138.01 47.31 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 126.261 1.824 . . . . 0.0 108.624 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -153.25 166.17 33.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.978 1.311 . . . . 0.0 109.058 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -146.68 152.26 38.57 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 120.269 -1.52 . . . . 0.0 107.769 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.73 147.13 51.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.309 -1.738 . . . . 0.0 106.309 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -132.09 136.77 47.4 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -125.63 163.61 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.834 1.254 . . . . 0.0 109.727 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -132.53 156.6 46.52 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 125.237 1.415 . . . . 0.0 107.808 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.0 -166.39 22.08 Favored Glycine 0 C--O 1.237 0.343 0 N-CA-C 108.704 -1.758 . . . . 0.0 108.704 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.7 p -68.59 161.42 28.05 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -51.87 -49.76 62.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.646 0.778 . . . . 0.0 112.769 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.14 -25.69 62.68 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 117.994 -1.003 . . . . 0.0 112.687 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -84.69 -23.11 29.54 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 120.485 1.493 . . . . 0.0 110.217 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.11 -18.38 55.75 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.012 -1.106 . . . . 0.0 108.012 177.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.9 m -86.6 -41.48 14.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.1 p -68.74 -25.4 64.72 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 119.418 1.008 . . . . 0.0 110.561 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -78.18 -48.48 15.77 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.451 1.1 . . . . 0.0 108.321 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.9 92.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.332 0.653 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -73.58 -30.94 63.32 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 118.976 -0.535 . . . . 0.0 110.717 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.6 -28.99 62.12 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.287 0.949 . . . . 0.0 108.841 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -68.87 -27.59 65.94 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.714 -1.241 . . . . 0.0 110.151 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.02 -28.38 61.41 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.992 -1.068 . . . . 0.0 108.822 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.95 -36.81 84.68 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.25 1.42 . . . . 0.0 111.204 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -79.33 8.76 5.54 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.146 -0.971 . . . . 0.0 111.296 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.8 mt -129.19 -18.24 3.71 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.277 1.431 . . . . 0.0 110.768 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -67.64 -53.79 25.03 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 126.491 1.916 . . . . 0.0 110.232 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -63.88 -14.85 56.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.562 0.745 . . . . 0.0 111.9 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -91.79 -49.64 6.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.823 1.249 . . . . 0.0 109.379 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -97.65 -76.32 0.52 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.695 1.198 . . . . 0.0 113.669 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.51 -176.1 47.89 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 126.611 2.053 . . . . 0.0 108.574 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -61.8 169.46 2.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 122.085 0.945 . . . . 0.0 111.425 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -145.54 166.43 25.72 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.74 0.816 . . . . 0.0 110.179 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.6 p -130.7 158.83 39.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 p -138.43 116.45 12.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.07 108.47 19.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.7 t -80.93 131.47 33.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 124.574 1.15 . . . . 0.0 108.41 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.96 172.89 12.06 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.585 1.154 . . . . 0.0 109.94 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 48.2 50.03 16.82 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 126.016 1.726 . . . . 0.0 109.806 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 59.2 9.6 1.4 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.881 2.073 . . . . 0.0 113.527 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.92 -8.23 16.62 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 126.367 1.937 . . . . 0.0 113.319 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -74.62 -5.97 45.98 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.121 1.461 . . . . 0.0 111.625 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.5 m -129.39 120.32 25.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 127.761 2.424 . . . . 0.0 105.956 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -125.98 110.0 13.09 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -100.43 94.59 6.24 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.668 0.787 . . . . 0.0 109.43 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -85.59 137.41 20.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 124.363 1.065 . . . . 0.0 109.286 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -134.96 120.5 19.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.421 1.088 . . . . 0.0 108.264 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -81.57 156.87 24.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.121 0.873 . . . . 0.0 109.249 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.15 -23.75 35.4 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 -179.291 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.4 m -124.29 132.11 53.55 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.6 mt -123.92 130.99 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -110.26 124.52 51.77 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.25 116.5 32.08 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -90.97 125.51 35.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -119.18 134.45 55.2 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.053 0.842 . . . . 0.0 109.276 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.06 117.55 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 125.217 1.407 . . . . 0.0 108.924 -178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -88.85 139.41 30.49 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.51 -12.86 48.75 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.706 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -62.62 -21.61 65.79 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.196 2.198 . . . . 0.0 111.046 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.62 19.19 9.42 Favored Glycine 0 C--N 1.34 0.762 0 CA-C-N 118.696 0.68 . . . . 0.0 112.469 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 p -133.71 141.91 47.75 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.389 1.076 . . . . 0.0 108.899 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -112.46 164.95 12.68 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -143.34 166.19 25.44 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.235 1.414 . . . . 0.0 109.188 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 p -126.89 152.36 47.19 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.756 1.222 . . . . 0.0 108.49 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.43 149.12 20.34 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -146.34 152.62 39.41 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.75 142.92 36.76 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -131.87 128.57 38.92 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.831 1.652 . . . . 0.0 108.23 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.54 -156.56 27.55 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.3 p -69.59 163.22 25.98 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 121.231 0.539 . . . . 0.0 109.626 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -50.55 -52.04 42.45 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.638 1.175 . . . . 0.0 113.344 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.36 -26.68 52.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.592 0.633 . . . . 0.0 111.331 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -72.25 -23.81 61.27 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 118.703 0.683 . . . . 0.0 112.087 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.32 -17.59 23.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.4 m -81.16 -42.52 20.73 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.281 -0.887 . . . . 0.0 109.408 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -67.89 -25.37 65.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.099 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -79.11 -43.55 23.85 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.93 -25.26 60.67 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.155 -0.926 . . . . 0.0 113.123 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -101.87 -30.8 11.05 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.402 1.001 . . . . 0.0 109.805 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.39 73.44 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.53 1.059 . . . . 0.0 109.847 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -62.76 -38.39 90.41 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.116 0.966 . . . . 0.0 109.012 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -44.02 54.45 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.971 0.908 . . . . 0.0 108.937 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -55.01 -36.71 65.74 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.753 1.621 . . . . 0.0 111.72 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -12.71 60.94 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.347 -0.846 . . . . 0.0 111.796 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.5 mt -113.27 -11.47 13.21 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.064 1.746 . . . . 0.0 110.287 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.37 -36.82 85.39 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 126.894 2.078 . . . . 0.0 108.956 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.31 -21.8 64.75 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.555 -0.715 . . . . 0.0 110.033 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.15 -1.19 23.98 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.498 1.519 . . . . 0.0 114.614 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -145.52 -8.84 0.57 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 117.541 -1.219 . . . . 0.0 114.127 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.08 -167.19 39.52 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 120.934 1.697 . . . . 0.0 111.021 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -55.25 157.31 3.65 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.014 1.726 . . . . 0.0 112.714 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -150.33 167.0 28.32 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 125.713 1.605 . . . . 0.0 107.94 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.27 158.36 39.98 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 124.379 1.072 . . . . 0.0 108.371 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.44 141.69 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -118.24 129.74 55.65 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.8 t -95.09 128.89 45.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 123.853 0.861 . . . . 0.0 110.562 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.43 172.68 12.37 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.035 1.334 . . . . 0.0 108.616 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 51.19 44.53 28.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.529 1.532 . . . . 0.0 111.631 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 58.84 15.66 3.99 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.447 1.899 . . . . 0.0 112.379 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.44 -10.37 28.46 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-O 118.364 -1.242 . . . . 0.0 113.017 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -74.68 -15.78 60.79 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 120.082 1.941 . . . . 0.0 111.527 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.5 m -122.6 120.4 33.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.2 mt -120.25 110.25 16.36 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -95.99 101.77 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.3 mt -100.04 139.91 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 125.007 1.323 . . . . 0.0 107.865 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.21 125.29 27.49 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -84.79 149.81 25.48 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.71 -29.43 19.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 C-N-CA 126.685 2.088 . . . . 0.0 110.089 -179.067 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.441 -0.911 0 N-CA-C 102.715 -3.068 . . . . 0.0 102.715 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 m -100.32 98.02 8.72 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mt -98.24 111.45 27.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -92.7 131.08 38.09 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.221 1.408 . . . . 0.0 108.492 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.41 115.94 28.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.972 1.709 . . . . 0.0 108.334 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.35 133.92 35.03 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 mt -124.75 129.53 50.66 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -127.89 112.64 28.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -92.34 148.84 21.81 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.57 -20.89 66.12 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -76.81 -7.58 55.71 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.316 -0.85 . . . . 0.0 112.479 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.66 72.79 1.28 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -160.58 122.25 3.09 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.409 1.884 . . . . 0.0 106.913 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.9 p -114.44 140.79 48.41 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.381 0.537 . . . . 0.0 110.487 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -142.99 166.83 23.56 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.324 1.849 . . . . 0.0 110.798 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -136.83 135.45 37.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.453 1.901 . . . . 0.0 106.255 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.97 150.2 52.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -144.18 132.37 21.8 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -115.59 156.71 25.3 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.048 1.339 . . . . 0.0 109.766 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -132.39 139.26 48.01 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.23 -156.74 27.32 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 107.465 -2.254 . . . . 0.0 107.465 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.498 ' H ' ' HB3' ' A' ' 28' ' ' GLU . 28.0 p -89.31 176.09 7.08 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.848 1.259 . . . . 0.0 109.122 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -63.72 -17.38 62.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.227 0.611 . . . . 0.0 110.623 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -105.09 -16.12 14.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.999 1.32 . . . . 0.0 111.654 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HB3' ' H ' ' A' ' 25' ' ' THR . 26.7 tt0 -104.1 -20.9 13.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 117.343 -1.313 . . . . 0.0 113.456 -177.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.17 -13.22 19.85 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.59 1.541 . . . . 0.0 114.49 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -92.74 -43.01 9.27 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.228 1.377 . . . . 0.0 113.847 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -23.89 61.86 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.86 -37.62 88.24 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.57 -37.29 62.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.373 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -72.22 -31.05 65.5 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.273 0.942 . . . . 0.0 108.717 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.88 -28.91 62.78 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -72.44 -33.03 66.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.58 -30.28 61.65 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.871 -1.143 . . . . 0.0 110.055 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -58.63 -36.84 74.72 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.869 0.868 . . . . 0.0 111.992 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 t -71.31 -18.55 62.4 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.838 -1.164 . . . . 0.0 110.495 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.3 mt -96.44 -28.92 14.21 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 124.811 1.244 . . . . 0.0 110.68 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.41 -41.03 96.5 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.18 1.392 . . . . 0.0 109.899 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.52 2.27 1.36 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.219 1.807 . . . . 0.0 113.162 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -140.19 -30.56 0.67 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 120.939 -1.1 . . . . 0.0 113.275 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -95.74 -55.04 3.14 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.018 0.927 . . . . 0.0 111.695 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.18 -177.81 26.19 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.22 165.94 12.9 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -146.08 159.74 42.86 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.087 -1.008 . . . . 0.0 111.666 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.0 p -115.2 162.13 17.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.8 p -146.11 135.0 16.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.856 0.836 . . . . 0.0 109.186 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -111.29 109.02 18.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.8 t -87.42 123.93 40.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 125.508 1.523 . . . . 0.0 108.163 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.29 -175.78 4.67 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 124.876 1.27 . . . . 0.0 110.028 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t0 52.79 53.89 11.42 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.703 1.601 . . . . 0.0 110.729 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 58.77 16.97 4.81 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.251 1.02 . . . . 0.0 111.356 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.63 -1.97 64.33 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.516 1.531 . . . . 0.0 112.299 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -78.05 -5.43 51.4 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.4 1.6 . . . . 0.0 112.282 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.6 m -128.63 122.87 31.85 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -117.48 111.2 18.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -102.31 104.71 15.25 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.4 mt -97.5 141.38 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 124.656 1.182 . . . . 0.0 108.262 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -134.14 113.89 12.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -75.36 133.27 41.26 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.83 80.05 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.312 1.045 . . . . 0.0 109.758 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.863 -2.076 . . . . 0.0 109.767 179.809 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -114.45 102.67 10.3 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -103.75 127.24 58.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -98.51 131.74 44.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.5 1.52 . . . . 0.0 112.204 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.28 110.94 20.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.353 1.461 . . . . 0.0 108.223 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -92.66 132.17 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mp -127.92 135.96 50.7 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.737 0.815 . . . . 0.0 109.639 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -127.07 125.9 67.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.6 141.65 32.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.18 1.392 . . . . 0.0 107.426 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.58 65.9 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.87 0.868 . . . . 0.0 110.136 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -60.03 -23.01 63.36 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.647 1.179 . . . . 0.0 111.36 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.03 47.33 1.26 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -158.45 157.49 32.32 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 125.023 1.329 . . . . 0.0 107.441 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p -130.08 173.26 10.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.946 0.898 . . . . 0.0 109.922 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -140.7 153.76 46.07 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 121.37 -0.831 . . . . 0.0 109.481 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -119.64 129.41 54.58 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.48 141.93 26.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -142.07 138.61 31.87 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -127.25 148.5 50.21 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.048 1.739 . . . . 0.0 108.993 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -122.94 149.41 44.3 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.638 1.175 . . . . 0.0 108.379 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.62 -161.08 28.35 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 p -70.04 165.88 20.93 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -61.42 -20.46 63.1 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.901 -1.124 . . . . 0.0 110.905 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -94.34 -11.84 29.2 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.861 1.664 . . . . 0.0 112.379 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -113.74 -23.32 9.75 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.81 -8.98 59.74 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.296 -1.502 . . . . 0.0 110.804 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -103.13 -41.55 6.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.596 1.559 . . . . 0.0 109.746 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -68.34 -25.0 64.88 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.398 0.999 . . . . 0.0 110.909 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.71 -37.98 82.99 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.68 -43.42 89.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.889 -0.507 . . . . 0.0 110.176 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -72.38 -29.9 64.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.854 0.752 . . . . 0.0 109.804 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.57 68.42 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -76.0 -31.86 59.14 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.086 -1.008 . . . . 0.0 109.359 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.21 62.42 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.736 -1.228 . . . . 0.0 109.892 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.51 -38.33 74.27 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.554 1.541 . . . . 0.0 113.01 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -69.14 -23.81 64.02 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.433 0.56 . . . . 0.0 109.89 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.92 -6.36 39.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.648 1.579 . . . . 0.0 112.129 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -69.62 -53.44 18.74 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.222 1.009 . . . . 0.0 108.439 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.01 -21.43 66.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.501 1.12 . . . . 0.0 112.044 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -87.55 -21.87 25.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.388 1.075 . . . . 0.0 112.578 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -131.85 -70.89 0.56 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 119.157 0.889 . . . . 0.0 113.144 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.57 -176.05 46.21 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.74 163.07 7.77 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.658 0.783 . . . . 0.0 111.2 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -150.33 170.08 19.87 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.471 -0.768 . . . . 0.0 112.311 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.6 p -135.47 163.39 30.16 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.224 1.81 . . . . 0.0 108.082 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 p -145.04 146.24 20.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 O-C-N 121.441 -0.787 . . . . 0.0 110.842 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -126.67 114.42 18.0 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.485 1.914 . . . . 0.0 108.83 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -81.04 133.79 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 124.751 1.221 . . . . 0.0 109.763 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.38 178.95 7.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.188 1.395 . . . . 0.0 110.184 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.7 t0 47.09 63.03 2.1 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 127.15 2.18 . . . . 0.0 112.965 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 57.24 6.01 0.32 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.133 1.373 . . . . 0.0 113.15 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.32 0.17 33.11 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.506 1.527 . . . . 0.0 111.145 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -81.44 -7.89 59.65 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.923 1.862 . . . . 0.0 112.063 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -127.69 132.97 49.59 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.541 1.136 . . . . 0.0 108.843 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -126.09 110.42 13.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 178.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -98.82 95.07 6.95 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mt -90.18 140.38 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 126.026 1.731 . . . . 0.0 108.391 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -134.31 124.58 26.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.208 1.803 . . . . 0.0 109.729 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -86.01 141.7 29.29 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.992 1.269 . . . . 0.0 108.676 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.41 -46.46 69.9 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.552 0 C-N-CA 124.645 1.117 . . . . 0.0 111.874 179.242 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.743 0.306 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -132.92 124.09 27.19 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 105.007 -2.219 . . . . 0.0 105.007 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.9 mt -126.06 118.51 51.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -92.8 109.36 20.79 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 121.246 -0.909 . . . . 0.0 108.723 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.55 117.39 24.42 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -96.99 131.65 43.59 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp -127.28 135.17 50.21 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.201 1.4 . . . . 0.0 110.374 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.3 mt -121.72 116.19 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 125.592 1.557 . . . . 0.0 108.015 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -100.77 145.32 28.66 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.95 -12.09 60.05 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -64.29 -4.72 4.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.71 2.004 . . . . 0.0 111.005 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.24 36.23 10.09 Favored Glycine 0 C--N 1.338 0.676 0 CA-C-N 119.004 0.82 . . . . 0.0 111.553 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -152.06 146.48 25.57 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 118.002 0.901 . . . . 0.0 109.529 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -112.64 140.25 47.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.481 1.513 . . . . 0.0 107.328 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -129.74 155.9 45.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -142.9 144.38 32.41 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.91 156.14 49.49 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -129.01 111.47 13.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.75 152.24 21.47 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.004 1.322 . . . . 0.0 109.391 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -132.97 166.52 22.18 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.732 1.613 . . . . 0.0 109.404 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.69 -162.13 20.88 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 107.771 -2.131 . . . . 0.0 107.771 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 p -75.35 168.06 20.71 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.516 1.658 . . . . 0.0 107.833 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -46.86 -50.24 18.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.128 1.371 . . . . 0.0 114.177 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -76.17 -26.99 56.77 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 117.899 -1.048 . . . . 0.0 113.54 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -86.41 -23.56 26.05 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.606 1.093 . . . . 0.0 110.965 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.3 -17.41 49.38 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -92.02 -40.48 11.07 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.692 1.197 . . . . 0.0 108.369 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -67.73 -25.38 65.62 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.293 -0.88 . . . . 0.0 112.197 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -74.75 -27.85 60.52 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.842 -0.536 . . . . 0.0 109.604 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.2 72.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -71.46 -31.4 67.12 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.54 81.23 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 120.114 1.325 . . . . 0.0 111.176 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -71.79 -39.55 69.84 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 121.308 -0.87 . . . . 0.0 111.055 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.73 -32.47 62.14 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.247 0.93 . . . . 0.0 110.492 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -59.58 -29.26 67.84 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 127.892 2.477 . . . . 0.0 113.036 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 t -92.15 0.55 57.46 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.651 0.78 . . . . 0.0 111.152 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -116.42 2.5 13.16 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.218 1.407 . . . . 0.0 112.746 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -68.58 -41.48 79.6 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.982 0.81 . . . . 0.0 109.51 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 18.9 mp0 -68.95 -21.88 64.16 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.099 -1.0 . . . . 0.0 110.465 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -86.32 -11.31 52.49 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 126.227 1.811 . . . . 0.0 110.845 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -140.8 -89.19 0.16 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.284 1.034 . . . . 0.0 108.388 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.02 -172.54 45.38 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 107.628 -2.189 . . . . 0.0 107.628 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.63 162.16 13.53 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.756 0.789 . . . . 0.0 110.814 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -141.11 170.12 16.32 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.883 1.273 . . . . 0.0 111.046 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 p -125.75 155.02 41.65 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 127.787 2.435 . . . . 0.0 106.452 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.83 135.23 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.807 0.813 . . . . 0.0 110.854 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.45 117.54 25.38 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.8 t -92.51 131.71 38.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 C-N-CA 124.879 1.272 . . . . 0.0 108.08 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.98 178.64 7.38 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 125.632 1.573 . . . . 0.0 110.096 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t70 51.89 53.73 12.1 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.488 1.515 . . . . 0.0 111.357 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 63.89 -7.26 0.21 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.047 1.739 . . . . 0.0 113.451 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.09 -5.64 6.04 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 126.955 2.216 . . . . 0.0 111.445 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -80.57 -8.78 59.72 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.839 1.255 . . . . 0.0 113.497 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -124.54 124.74 42.92 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.8 mt -126.02 118.87 26.24 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 126.401 1.88 . . . . 0.0 106.179 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -106.48 103.85 13.41 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.2 mt -99.0 111.24 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -112.62 117.97 33.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -82.21 129.14 34.76 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.32 -18.41 65.16 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.8 -2.111 . . . . 0.0 110.175 -179.025 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.408 0.623 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 m -90.6 124.56 35.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 29' ' ' ALA . 39.2 mt -126.43 103.7 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -93.24 110.37 21.89 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.43 135.07 34.35 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.184 0.994 . . . . 0.0 110.152 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -102.68 125.92 49.59 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 11' ' ' ILE . 5.0 mp -127.27 124.63 39.27 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.603 HG13 HG22 ' A' ' 17' ' ' THR . 1.5 mp -119.59 121.55 66.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 125.64 1.576 . . . . 0.0 108.383 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -97.69 137.52 36.47 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.73 -14.47 52.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.109 1.364 . . . . 0.0 111.67 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -62.06 -19.14 62.6 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 127.488 2.315 . . . . 0.0 111.519 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.51 47.35 1.06 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -147.67 159.27 43.98 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.773 -1.428 . . . . 0.0 110.236 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.603 HG22 HG13 ' A' ' 11' ' ' ILE . 23.4 p -138.14 137.45 37.68 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.348 1.459 . . . . 0.0 107.506 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -134.92 166.29 23.36 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.277 1.031 . . . . 0.0 109.638 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.6 125.24 19.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.98 157.91 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.76 145.83 30.08 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.442 -0.786 . . . . 0.0 109.334 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -122.85 153.86 39.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 124.966 1.306 . . . . 0.0 110.151 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -133.04 109.51 9.58 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 126.139 1.776 . . . . 0.0 106.27 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.14 -173.6 44.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.6 p -72.91 169.06 17.66 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.396 1.098 . . . . 0.0 110.246 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -59.09 -19.17 41.94 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -104.93 -6.3 20.25 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.29 1.036 . . . . 0.0 111.742 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -113.92 -24.18 9.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.524 -178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' HD12 ' A' ' 6' ' ' ILE . . . -83.22 -18.59 38.71 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.77 -1.206 . . . . 0.0 109.752 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.8 m -90.15 -28.23 19.07 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.032 -1.043 . . . . 0.0 108.195 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.0 t -67.45 -26.13 66.24 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -84.64 -41.97 15.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.15 62.21 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.498 -0.763 . . . . 0.0 112.636 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -94.73 -30.0 14.5 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.718 1.145 . . . . 0.0 110.771 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.58 -37.33 73.93 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.785 1.175 . . . . 0.0 110.065 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -62.14 -31.87 72.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.752 1.221 . . . . 0.0 110.028 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.36 -27.08 60.51 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.635 -0.666 . . . . 0.0 110.522 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.15 -36.85 80.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.32 1.048 . . . . 0.0 113.193 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -68.63 -26.49 65.37 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.583 0.706 . . . . 0.0 109.931 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.6 mt -86.38 -15.13 41.37 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.548 1.139 . . . . 0.0 110.878 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -67.25 -36.18 81.09 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.315 1.046 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -75.33 -1.6 24.47 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.142 -0.974 . . . . 0.0 111.542 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -117.79 -37.04 3.51 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.468 1.507 . . . . 0.0 112.125 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -113.69 -16.76 12.26 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.626 1.17 . . . . 0.0 113.822 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.89 -165.77 32.13 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -54.72 152.59 6.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.666 1.222 . . . . 0.0 111.741 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -141.06 167.48 22.08 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.24 1.416 . . . . 0.0 109.769 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.6 p -129.45 161.16 31.02 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.815 1.246 . . . . 0.0 109.259 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -146.05 151.93 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-O 121.472 0.653 . . . . 0.0 109.623 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -126.2 118.7 25.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.8 t -98.53 120.17 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.39 -174.31 4.09 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 48.97 54.17 11.33 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.58 1.152 . . . . 0.0 109.346 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 54.84 9.54 0.3 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.698 1.999 . . . . 0.0 114.235 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.2 -10.04 28.99 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.289 1.423 . . . . 0.0 113.164 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -75.69 -14.47 60.35 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 118.56 1.18 . . . . 0.0 111.341 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.9 m -123.72 116.8 23.64 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.47 110.08 16.99 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -100.85 91.82 4.78 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mt -87.43 128.97 39.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -131.06 120.49 23.49 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -78.35 153.34 31.74 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.453 0.701 . . . . 0.0 109.674 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.88 -44.82 60.85 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.454 0.701 . . . . 0.0 110.864 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 C-N-CA 125.612 1.577 . . . . 0.0 111.594 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.235 0.342 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -127.28 95.92 4.42 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.6 mt -93.36 131.56 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 126.846 2.058 . . . . 0.0 109.338 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -101.53 131.48 47.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.7 110.79 23.26 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 126.148 1.779 . . . . 0.0 106.743 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -98.54 124.2 43.16 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -127.17 135.21 50.37 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.38 1.072 . . . . 0.0 112.061 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.36 133.71 63.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 126.933 2.093 . . . . 0.0 108.81 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -113.0 143.22 44.68 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.78 -14.04 49.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.826 1.251 . . . . 0.0 110.903 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -67.0 -19.81 65.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.187 2.195 . . . . 0.0 111.636 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.57 -4.44 37.16 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.934 1.254 . . . . 0.0 112.528 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -99.14 157.16 16.55 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.436 1.095 . . . . 0.0 108.551 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -138.34 171.03 14.99 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.5 0.667 . . . . 0.0 109.309 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.32 166.12 34.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 121.218 -0.926 . . . . 0.0 109.471 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 m -146.45 142.79 28.48 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.14 163.98 32.02 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -148.28 143.08 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -126.51 148.95 49.63 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.717 1.607 . . . . 0.0 107.888 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.06 113.92 14.53 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.42 -161.42 28.09 Favored Glycine 0 C--O 1.24 0.521 0 CA-C-N 118.573 0.624 . . . . 0.0 111.594 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.2 p -67.16 162.81 21.6 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -64.05 -8.87 13.17 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.312 1.045 . . . . 0.0 112.215 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -115.26 -27.51 7.23 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.981 1.313 . . . . 0.0 111.65 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -81.63 -23.76 36.78 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 119.151 0.887 . . . . 0.0 109.846 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.87 -18.44 32.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.1 m -77.77 -41.73 36.49 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -69.44 -25.79 64.28 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 118.907 -1.117 . . . . 0.0 109.832 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.03 -46.04 31.34 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.59 -41.74 66.91 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.068 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -85.1 -31.2 23.47 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.079 0.854 . . . . 0.0 110.705 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.19 71.16 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.544 1.066 . . . . 0.0 111.181 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -68.55 -35.98 78.17 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.306 -0.871 . . . . 0.0 109.254 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -43.2 55.8 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -57.91 -37.08 73.4 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.486 1.114 . . . . 0.0 111.309 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -1.23 23.26 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.171 -0.956 . . . . 0.0 113.307 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.7 mt -126.86 -0.7 6.64 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.631 1.572 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -61.16 -53.06 61.74 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.9 1.68 . . . . 0.0 109.63 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -49.14 -45.83 44.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.477 1.511 . . . . 0.0 113.133 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.77 -17.6 60.61 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.136 1.374 . . . . 0.0 114.358 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -117.82 -57.88 2.07 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.78 -168.02 25.41 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 129.198 3.285 . . . . 0.0 106.94 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.71 170.3 2.05 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.707 0.765 . . . . 0.0 111.447 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -149.49 160.82 43.14 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.296 -0.877 . . . . 0.0 110.192 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.0 p -119.37 160.51 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.421 1.489 . . . . 0.0 108.131 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.2 t -139.75 131.65 33.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.15 123.29 49.26 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -80.16 131.74 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.938 1.295 . . . . 0.0 110.177 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.23 166.45 24.67 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 127.065 2.146 . . . . 0.0 110.105 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 46.21 50.72 11.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.857 2.463 . . . . 0.0 110.867 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 61.81 -6.23 0.13 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.927 2.091 . . . . 0.0 114.489 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.92 -10.75 3.93 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 126.74 2.114 . . . . 0.0 112.383 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -77.24 -7.9 56.7 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.8 m -132.46 95.05 3.54 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.1 mt -93.32 110.38 21.91 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -96.83 104.59 16.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mt -95.12 140.79 16.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -132.68 113.13 12.63 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.71 155.06 40.79 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.75 -40.6 20.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.11 0.964 . . . . 0.0 111.529 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 C-N-CA 124.604 1.097 . . . . 0.0 111.745 -179.621 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 C--O 1.232 0.143 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m -114.83 93.34 4.28 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.4 mt -91.07 131.85 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 121.292 -0.88 . . . . 0.0 108.81 -177.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -102.65 131.97 49.07 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.373 1.869 . . . . 0.0 110.345 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.82 118.56 29.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -99.36 114.41 27.29 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 103.479 -2.785 . . . . 0.0 103.479 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -103.95 134.56 47.04 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 124.206 0.941 . . . . 0.0 110.174 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.55 133.34 67.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 126.905 2.082 . . . . 0.0 106.988 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -118.47 143.4 46.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.016 1.326 . . . . 0.0 107.673 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.43 -12.9 59.6 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.427 0.632 . . . . 0.0 109.75 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.08 -0.29 7.41 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.069 2.147 . . . . 0.0 110.814 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.7 22.49 61.8 Favored Glycine 0 C--N 1.342 0.874 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -114.1 145.61 41.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.846 1.659 . . . . 0.0 108.257 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.4 p -141.68 138.8 32.71 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -147.32 143.11 27.81 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.669 -0.644 . . . . 0.0 110.388 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 p -89.05 152.09 21.87 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.65 140.67 20.24 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -140.2 140.4 35.85 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -131.02 138.59 49.71 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.726 1.61 . . . . 0.0 107.082 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -124.42 114.23 19.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.714 1.206 . . . . 0.0 108.469 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.83 -165.5 31.84 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 107.658 -2.177 . . . . 0.0 107.658 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.0 p -67.9 173.93 4.1 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.732 1.266 . . . . 0.0 109.363 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -57.69 -16.89 12.21 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.212 1.005 . . . . 0.0 111.091 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -111.44 -27.31 8.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 117.149 -1.405 . . . . 0.0 111.734 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.91 -23.84 33.36 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 120.259 1.39 . . . . 0.0 110.708 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.27 -15.39 55.64 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.345 -0.847 . . . . 0.0 109.109 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.7 m -88.08 -41.87 12.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.97 0.908 . . . . 0.0 108.74 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -69.11 -25.03 64.21 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.599 1.091 . . . . 0.0 112.241 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.79 -30.99 56.69 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.959 0.799 . . . . 0.0 109.116 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.0 82.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -72.41 -30.54 64.73 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.27 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.5 87.67 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.248 -0.907 . . . . 0.0 109.76 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -62.44 -33.78 75.49 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.711 -0.618 . . . . 0.0 109.399 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.21 -40.52 62.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.441 0.697 . . . . 0.0 110.121 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.28 -30.73 60.69 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.385 1.074 . . . . 0.0 112.737 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.69 5.79 23.33 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.3 -0.875 . . . . 0.0 111.747 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.5 mt -121.22 -30.21 4.36 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.625 1.97 . . . . 0.0 110.321 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -47.12 -49.22 22.45 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 130.616 3.566 . . . . 0.0 114.355 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.42 -39.24 93.97 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.986 0.812 . . . . 0.0 112.654 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -5.67 55.55 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -119.33 -59.05 1.87 Allowed 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 123.478 0.711 . . . . 0.0 110.169 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.63 -163.34 24.97 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 125.729 1.633 . . . . 0.0 109.235 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.54 158.6 9.54 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.812 0.845 . . . . 0.0 110.772 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -139.32 168.01 20.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.45 1.1 . . . . 0.0 111.815 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 p -130.56 151.65 50.8 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.551 1.54 . . . . 0.0 109.318 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.6 t -142.24 139.84 29.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 124.016 0.926 . . . . 0.0 108.662 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -134.25 111.74 10.5 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.73 134.2 27.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 123.935 0.894 . . . . 0.0 109.454 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.12 -174.93 4.24 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.664 1.586 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 52.01 45.43 28.32 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.033 1.333 . . . . 0.0 110.313 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.23 8.78 0.6 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.174 2.19 . . . . 0.0 112.984 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.93 -3.35 11.71 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 125.854 1.692 . . . . 0.0 112.693 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -89.67 -2.7 58.36 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.782 1.791 . . . . 0.0 112.866 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.7 m -137.14 137.15 38.91 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 119.374 0.988 . . . . 0.0 109.169 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.3 mt -126.37 114.07 17.73 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 125.862 1.665 . . . . 0.0 108.586 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -83.53 97.96 9.3 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 104.202 -2.518 . . . . 0.0 104.202 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mt -110.33 130.71 63.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 119.171 0.896 . . . . 0.0 112.29 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -134.79 142.1 46.6 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.019 0.928 . . . . 0.0 110.407 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -91.83 129.43 37.79 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 103.325 -2.843 . . . . 0.0 103.325 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.43 -24.99 61.67 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 CA-C-O 115.339 -2.923 . . . . 0.0 109.885 -179.425 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.7 m -127.82 125.89 40.65 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 104.335 -2.469 . . . . 0.0 104.335 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.27 121.29 64.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -94.53 131.07 40.64 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.611 1.164 . . . . 0.0 109.939 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.49 115.97 23.84 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.409 1.484 . . . . 0.0 110.086 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -86.5 134.29 33.68 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.5 mt -118.11 129.83 55.77 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.51 123.39 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 127.096 2.158 . . . . 0.0 107.937 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -123.87 139.5 53.91 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.66 -15.09 6.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.731 1.612 . . . . 0.0 113.086 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -67.1 -1.73 4.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.266 1.826 . . . . 0.0 111.149 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.91 67.06 1.43 Allowed Glycine 0 C--N 1.341 0.853 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 p -160.42 139.48 10.61 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 p -131.81 126.78 35.18 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.78 167.35 20.71 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 126.316 1.846 . . . . 0.0 111.688 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.8 p -137.24 136.27 37.95 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.728 1.611 . . . . 0.0 109.434 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.58 145.7 51.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.42 112.85 12.5 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 125.346 1.458 . . . . 0.0 107.179 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -107.72 143.63 35.96 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.381 1.472 . . . . 0.0 107.304 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.34 156.12 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.467 1.107 . . . . 0.0 108.766 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.94 -163.9 26.19 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 107.816 -2.114 . . . . 0.0 107.816 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.432 ' HG1' ' CD ' ' A' ' 28' ' ' GLU . 50.6 p -67.72 162.44 23.79 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 178.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -50.59 -44.55 56.9 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 120.906 -1.121 . . . . 0.0 112.512 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -73.05 -25.27 60.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.467 0.707 . . . . 0.0 112.553 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.432 ' CD ' ' HG1' ' A' ' 25' ' ' THR . 77.0 mt-10 -88.82 -23.84 22.73 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.186 0.903 . . . . 0.0 111.603 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.86 -17.47 35.53 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.81 -0.556 . . . . 0.0 110.281 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.2 m -89.84 -42.06 11.47 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.0 t -72.67 -25.33 61.22 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-O 118.086 -0.959 . . . . 0.0 111.348 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.32 -40.16 81.76 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 120.13 1.332 . . . . 0.0 108.809 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.92 81.83 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.006 0.922 . . . . 0.0 111.635 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -72.3 -30.24 64.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.806 0.73 . . . . 0.0 110.385 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.77 -35.62 64.99 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -66.39 -39.82 89.29 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 120.899 -1.126 . . . . 0.0 109.304 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.54 68.83 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.42 -0.8 . . . . 0.0 110.842 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -62.29 -37.75 86.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.845 0.858 . . . . 0.0 111.958 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -72.38 -16.45 61.86 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 120.956 -1.09 . . . . 0.0 111.677 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.9 mt -96.18 -7.61 35.3 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.643 0.777 . . . . 0.0 110.788 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.57 -47.48 72.65 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.032 1.333 . . . . 0.0 108.036 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.3 -22.02 65.7 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.673 1.589 . . . . 0.0 112.156 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -105.0 -18.23 14.23 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.294 1.038 . . . . 0.0 113.419 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -127.28 -44.97 1.55 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.105 1.32 . . . . 0.0 114.116 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.65 -174.29 23.1 Favored Glycine 0 C--N 1.333 0.384 0 CA-C-N 120.2 1.364 . . . . 0.0 112.27 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -62.38 159.3 15.63 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.811 0.815 . . . . 0.0 108.933 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -147.57 162.43 39.12 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.177 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.6 p -127.96 164.36 22.47 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.365 1.866 . . . . 0.0 107.28 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.4 p -145.27 131.58 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.869 0.843 . . . . 0.0 109.234 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -112.88 116.73 30.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.7 t -82.13 134.88 26.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.39 174.34 10.73 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.327 1.051 . . . . 0.0 109.68 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 36.12 67.93 0.27 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.667 2.787 . . . . 0.0 111.799 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 67.12 -27.33 0.13 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 129.527 3.131 . . . . 0.0 113.508 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 140.34 -3.25 2.4 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 128.958 3.17 . . . . 0.0 111.377 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -72.67 -16.18 61.69 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.148 1.779 . . . . 0.0 113.523 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -130.26 125.71 35.49 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.5 mt -113.63 131.51 56.1 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 124.528 1.131 . . . . 0.0 109.184 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -108.7 91.61 3.72 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.1 mt -90.82 140.17 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -134.64 123.19 23.37 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.17 0.988 . . . . 0.0 108.631 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -89.29 144.64 25.94 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.13 88.89 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.484 1.114 . . . . 0.0 111.247 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 117.385 -1.786 . . . . 0.0 111.71 179.328 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttt . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.84 148.12 48.01 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 124.992 1.317 . . . . 0.0 111.127 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -69.55 168.31 14.95 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.225 1.01 . . . . 0.0 109.86 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 m -137.01 174.61 11.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 125.086 1.354 . . . . 0.0 110.129 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.4 m -123.17 131.79 53.82 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.542 1.937 . . . . 0.0 106.001 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.6 mt -126.08 131.76 71.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 124.695 1.198 . . . . 0.0 108.281 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HE2' ' OE2' ' A' ' 21' ' ' GLU . 2.6 tppp? -92.48 120.53 33.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 126.12 1.768 . . . . 0.0 107.907 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.09 110.31 20.52 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -94.51 132.17 39.46 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mp -127.11 126.58 43.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 118.995 0.816 . . . . 0.0 110.662 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.86 131.69 66.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 125.443 1.497 . . . . 0.0 109.238 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -111.94 149.5 31.82 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.37 -12.92 61.42 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.071 0.462 . . . . 0.0 110.429 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -64.82 3.23 0.57 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.389 2.275 . . . . 0.0 112.788 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.33 36.02 46.18 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-N 120.35 1.432 . . . . 0.0 112.19 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 t -149.31 142.74 25.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.4 p -116.91 158.27 24.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.4 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -149.64 162.89 39.32 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.081 1.753 . . . . 0.0 106.907 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -146.19 151.78 38.17 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.59 148.47 44.19 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 105.707 -1.961 . . . . 0.0 105.707 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.438 ' OE2' ' HE2' ' A' ' 7' ' ' LYS . 91.8 mt-10 -133.42 114.06 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 -178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -107.4 149.11 28.26 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.286 1.034 . . . . 0.0 110.061 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -130.97 133.46 45.83 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 127.399 2.28 . . . . 0.0 107.087 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.56 -157.92 28.09 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -71.92 170.54 13.54 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.06 -17.26 56.87 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.357 1.063 . . . . 0.0 110.466 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -111.8 -27.21 8.58 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 118.848 0.749 . . . . 0.0 110.952 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.91 -21.77 43.54 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 118.888 0.767 . . . . 0.0 109.72 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.16 -8.4 39.53 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 120.874 -1.141 . . . . 0.0 110.02 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.2 m -102.13 -42.62 6.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.118 0.967 . . . . 0.0 110.888 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 t -75.58 -24.55 56.62 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 119.171 0.896 . . . . 0.0 110.807 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -73.22 -40.23 64.87 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.97 88.55 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.192 0.997 . . . . 0.0 110.454 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -72.21 -29.65 64.17 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.631 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -32.47 66.58 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -63.45 -38.43 91.11 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.0 66.54 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.501 -0.75 . . . . 0.0 109.913 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.04 -36.97 83.19 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.206 1.002 . . . . 0.0 110.197 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.46 11.11 7.42 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.133 0.973 . . . . 0.0 111.657 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.2 mt -120.76 -28.0 4.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.248 1.419 . . . . 0.0 109.557 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.46 -40.94 88.51 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.696 1.134 . . . . 0.0 110.113 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.94 -16.15 48.79 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.994 1.318 . . . . 0.0 112.285 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.25 7.34 11.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.195 1.798 . . . . 0.0 111.072 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -136.38 -83.93 0.37 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.104 0.962 . . . . 0.0 111.726 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.74 -175.39 43.9 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 127.666 2.555 . . . . 0.0 108.028 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -57.99 161.91 3.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 117.856 0.828 . . . . 0.0 110.704 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -142.92 165.38 27.52 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.002 0.906 . . . . 0.0 111.787 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.35 157.72 41.8 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.881 1.673 . . . . 0.0 108.652 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.0 p -140.87 136.6 34.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.504 0.669 . . . . 0.0 110.367 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.98 110.9 20.31 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 126.826 2.051 . . . . 0.0 107.338 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.3 132.76 31.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.18 176.19 9.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.125 1.37 . . . . 0.0 108.934 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 36.28 68.32 0.26 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 128.262 2.625 . . . . 0.0 111.993 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 50.86 24.64 1.85 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.969 2.108 . . . . 0.0 115.127 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.5 -15.8 61.54 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 118.72 -1.044 . . . . 0.0 112.118 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -73.74 -4.4 34.31 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.052 1.341 . . . . 0.0 112.833 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.1 m -132.75 121.92 23.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.5 mt -121.61 110.42 15.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -97.29 106.23 18.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 mt -103.67 130.87 53.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -132.96 120.86 21.97 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.613 1.165 . . . . 0.0 108.386 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.49 140.63 34.47 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.01 -48.72 28.19 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.394 1.078 . . . . 0.0 109.774 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.341 0 CA-C-O 115.698 -2.723 . . . . 0.0 112.274 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 CA--C 1.515 -0.382 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -117.28 12.21 14.28 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.307 1.443 . . . . 0.0 109.659 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -61.25 167.21 3.27 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.255 2.222 . . . . 0.0 111.462 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.3 m -126.76 174.27 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 126.64 1.976 . . . . 0.0 108.827 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -132.39 103.82 6.39 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -107.59 128.41 62.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -100.92 131.61 46.72 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.973 1.309 . . . . 0.0 110.673 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.16 112.26 25.07 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.403 1.481 . . . . 0.0 107.11 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -86.6 120.67 28.17 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 101.377 -3.564 . . . . 0.0 101.377 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.6 mt -112.16 110.96 21.52 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.316 1.447 . . . . 0.0 110.47 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.28 136.8 58.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 O-C-N 121.101 -0.999 . . . . 0.0 108.876 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.428 ' HA ' ' HB2' ' A' ' 62' ' ' PHE . 20.6 m-85 -128.28 147.1 50.58 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HB3' ' HA3' ' A' ' 64' ' ' GLY . . . -75.98 -2.64 31.47 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.32 -12.8 15.17 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 126.675 1.99 . . . . 0.0 111.044 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.45 21.62 8.25 Favored Glycine 0 C--N 1.341 0.855 0 C-N-CA 126.153 1.835 . . . . 0.0 113.496 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -142.74 158.33 43.75 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.29 2.045 . . . . 0.0 114.77 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.8 p -122.59 143.88 49.46 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.941 2.096 . . . . 0.0 107.115 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -151.47 159.29 44.25 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.551 1.54 . . . . 0.0 107.608 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.9 m -147.06 144.72 29.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.34 155.21 48.77 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.812 1.245 . . . . 0.0 107.863 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -131.86 135.59 46.81 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -124.72 144.69 50.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.475 1.51 . . . . 0.0 108.206 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mp0 -127.84 155.13 44.61 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.617 1.167 . . . . 0.0 109.13 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.82 -160.34 27.03 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p -64.12 170.55 3.56 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -58.13 -43.92 87.52 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.772 -1.205 . . . . 0.0 111.585 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -77.78 -26.17 49.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.411 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -80.91 -24.13 38.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.011 1.278 . . . . 0.0 111.917 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.28 -7.27 58.63 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.133 -0.979 . . . . 0.0 109.351 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.3 m -108.23 -41.86 4.78 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.962 1.305 . . . . 0.0 111.709 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.6 t -73.79 -25.6 60.21 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.316 0.962 . . . . 0.0 111.456 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.06 -40.88 74.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.749 0.704 . . . . 0.0 109.783 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.05 -48.78 72.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 124.114 0.965 . . . . 0.0 110.578 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -70.47 -29.35 65.88 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 118.579 -1.249 . . . . 0.0 109.612 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.86 85.5 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.755 1.161 . . . . 0.0 108.838 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -66.97 -46.71 73.83 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.28 77.95 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.25 -0.906 . . . . 0.0 110.822 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -66.71 -28.4 68.41 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.168 1.387 . . . . 0.0 109.899 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -89.62 -1.16 57.94 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.743 1.156 . . . . 0.0 111.513 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.3 mt -104.23 -29.54 10.74 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.834 1.254 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -21.95 66.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.425 0.557 . . . . 0.0 110.419 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.18 -3.34 1.76 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 130.197 3.399 . . . . 0.0 112.558 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -148.4 -31.35 0.27 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.445 1.498 . . . . 0.0 112.047 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -82.14 -69.27 0.63 Allowed 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.34 -178.02 32.2 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 128.009 2.718 . . . . 0.0 107.069 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.16 162.03 20.68 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.346 1.07 . . . . 0.0 111.843 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -140.52 159.01 43.13 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.427 1.491 . . . . 0.0 111.59 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.9 p -116.38 161.66 18.72 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -141.62 153.15 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 O-C-N 121.41 -0.806 . . . . 0.0 109.906 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -133.32 119.0 19.17 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.196 1.398 . . . . 0.0 107.248 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.48 119.88 30.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.02 178.17 7.71 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.445 0.698 . . . . 0.0 109.71 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 48.02 53.19 11.95 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.917 1.687 . . . . 0.0 110.046 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 57.6 16.21 3.27 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.083 2.153 . . . . 0.0 113.835 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.81 -5.25 56.53 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.853 1.216 . . . . 0.0 111.536 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -77.69 -11.18 59.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.801 1.3 . . . . 0.0 111.335 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.3 m -133.94 122.47 23.15 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.195 0.998 . . . . 0.0 109.543 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.34 111.28 22.03 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -93.87 100.9 12.99 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.7 mt -99.0 134.83 36.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 124.655 1.182 . . . . 0.0 109.182 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -130.17 105.34 7.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.047 1.339 . . . . 0.0 110.255 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 12' ' ' PHE . 12.2 m-85 -77.19 117.97 19.24 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 178.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.64 -41.89 2.35 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.725 2.01 . . . . 0.0 114.614 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.468 ' HA3' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.246 0.883 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.89 162.32 38.01 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 118.637 0.653 . . . . 0.0 111.708 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -88.28 -179.96 6.23 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 127.487 2.315 . . . . 0.0 109.509 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.44 168.34 12.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 125.286 1.434 . . . . 0.0 109.834 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m -120.64 119.09 31.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 103.548 -2.76 . . . . 0.0 103.548 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -116.32 120.03 63.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -92.66 131.26 37.9 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.11 0.964 . . . . 0.0 109.916 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.61 122.3 42.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.871 1.668 . . . . 0.0 107.746 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -92.83 133.96 35.55 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -126.84 123.64 37.78 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.593 1.088 . . . . 0.0 112.188 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.39 132.24 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 127.247 2.219 . . . . 0.0 108.671 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -125.03 142.37 51.54 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.61 -11.07 21.98 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.6 1.16 . . . . 0.0 112.684 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -66.98 -7.22 20.77 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.842 0.857 . . . . 0.0 110.916 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.57 50.54 2.52 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 107.449 -2.26 . . . . 0.0 107.449 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 m -142.39 140.18 31.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.206 1.402 . . . . 0.0 111.339 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.3 p -135.36 127.35 29.63 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -139.88 166.75 23.8 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.145 2.178 . . . . 0.0 108.146 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.4 p -135.0 152.4 51.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.62 141.09 31.86 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -131.42 130.28 42.34 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -121.01 140.48 51.86 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -122.79 137.31 54.96 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.737 1.215 . . . . 0.0 108.175 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.05 -162.9 32.05 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 106.841 -2.503 . . . . 0.0 106.841 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 p -71.52 174.99 5.91 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 118.593 -1.243 . . . . 0.0 108.878 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -48.25 -49.35 33.67 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.703 0.801 . . . . 0.0 111.8 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -79.59 -26.93 41.15 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -78.55 -22.57 47.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.735 0.698 . . . . 0.0 110.489 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.27 -4.57 48.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.721 0.808 . . . . 0.0 110.367 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.4 m -107.97 -42.62 4.63 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.636 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -72.34 -24.71 61.33 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.404 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -67.49 -42.01 83.62 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.08 88.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.472 0.709 . . . . 0.0 111.113 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -73.07 -29.27 62.83 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.12 -40.15 53.48 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -58.36 -38.9 78.17 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.265 1.026 . . . . 0.0 108.804 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.65 63.36 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.722 -0.611 . . . . 0.0 112.028 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -68.99 -37.56 78.8 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.509 1.504 . . . . 0.0 108.403 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -11.93 61.24 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.493 1.117 . . . . 0.0 110.866 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -102.21 -26.03 13.48 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.87 1.268 . . . . 0.0 109.683 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.72 -44.6 93.12 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.466 1.506 . . . . 0.0 108.513 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.95 -11.16 25.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.554 1.542 . . . . 0.0 111.385 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -117.57 -9.6 10.77 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.211 1.404 . . . . 0.0 113.447 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -129.91 -71.95 0.59 Allowed 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.439 1.096 . . . . 0.0 112.781 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.83 -176.73 40.58 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 127.38 2.419 . . . . 0.0 108.581 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -61.88 163.86 7.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 122.146 0.974 . . . . 0.0 109.891 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -146.45 171.29 15.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.668 0.747 . . . . 0.0 111.868 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 p -130.45 168.71 16.57 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 127.173 2.189 . . . . 0.0 106.493 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.7 p -147.23 119.19 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 121.122 -0.986 . . . . 0.0 108.899 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.56 109.02 21.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.95 134.55 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.348 1.059 . . . . 0.0 109.91 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.85 171.36 14.16 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.598 1.159 . . . . 0.0 110.081 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 50.31 49.54 20.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 125.792 1.637 . . . . 0.0 108.567 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 62.03 -10.32 0.08 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 128.332 2.653 . . . . 0.0 113.987 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 143.0 -14.83 2.37 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.163 1.84 . . . . 0.0 112.401 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -69.09 -9.71 54.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.565 1.682 . . . . 0.0 113.876 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.5 m -133.25 113.87 13.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.2 mt -110.37 110.06 20.71 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -93.73 100.51 12.71 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.81 140.13 16.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -134.73 114.16 12.4 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 125.151 1.381 . . . . 0.0 108.042 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -90.63 144.94 25.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.934 1.243 . . . . 0.0 110.842 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.05 75.18 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.707 0.803 . . . . 0.0 109.989 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.918 0 C-N-CA 124.026 0.822 . . . . 0.0 111.187 179.65 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -141.68 -176.09 4.63 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.257 1.023 . . . . 0.0 109.42 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -108.21 162.8 13.74 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.326 1.05 . . . . 0.0 109.046 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.1 165.76 13.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 127.007 2.123 . . . . 0.0 106.925 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.28 137.44 51.78 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.8 mt -126.37 132.34 70.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 126.417 1.887 . . . . 0.0 106.738 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -110.67 109.43 19.69 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 120.983 -1.073 . . . . 0.0 108.994 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.04 109.1 21.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -90.68 133.96 34.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 103.733 -2.691 . . . . 0.0 103.733 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mp -123.85 134.32 53.61 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.157 0.89 . . . . 0.0 110.885 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -129.27 125.38 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 125.706 1.602 . . . . 0.0 108.21 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -110.23 143.22 40.71 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.95 -21.0 42.0 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -65.53 -12.59 54.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.837 1.255 . . . . 0.0 111.869 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.82 7.05 56.86 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 m -86.57 132.28 33.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.208 1.803 . . . . 0.0 106.526 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.6 p -132.25 150.57 52.13 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -144.0 153.31 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.53 0.732 . . . . 0.0 110.231 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 143.61 44.8 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 104.289 -2.486 . . . . 0.0 104.289 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.31 135.47 13.06 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -124.93 133.47 53.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -120.03 137.12 54.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -122.15 122.95 40.39 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.848 1.659 . . . . 0.0 107.035 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.66 -162.32 36.08 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 109.084 -1.607 . . . . 0.0 109.084 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.9 p -69.01 165.68 19.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -58.41 -35.75 72.53 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.259 -0.901 . . . . 0.0 110.114 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -83.42 -27.41 29.59 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 117.202 -1.38 . . . . 0.0 112.418 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -85.18 -23.84 28.17 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 120.842 1.655 . . . . 0.0 111.712 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.23 -4.19 54.74 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.499 -0.751 . . . . 0.0 109.364 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.4 m -108.17 -42.22 4.69 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.182 1.793 . . . . 0.0 109.861 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.2 p -72.36 -25.49 61.55 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 120.181 1.355 . . . . 0.0 111.137 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -74.16 -33.74 63.58 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.38 67.6 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.037 1.335 . . . . 0.0 111.264 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -71.38 -29.25 64.73 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.22 -48.15 71.52 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 120.933 -1.104 . . . . 0.0 109.105 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -57.95 -36.46 72.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.263 0.625 . . . . 0.0 109.519 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.16 61.73 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.223 -0.923 . . . . 0.0 111.847 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.03 -37.31 79.4 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.114 1.765 . . . . 0.0 112.339 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -73.01 -11.69 60.66 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.2 mt -101.86 -9.71 20.5 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.839 1.256 . . . . 0.0 110.901 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.09 -37.87 88.9 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.426 1.49 . . . . 0.0 109.611 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -73.0 -17.08 61.49 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.314 1.446 . . . . 0.0 111.996 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.22 -6.3 19.89 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.081 1.753 . . . . 0.0 111.638 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -138.69 -74.59 0.38 Allowed 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 120.747 -1.22 . . . . 0.0 109.748 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.15 -160.0 30.11 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -60.34 162.8 5.71 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.418 1.087 . . . . 0.0 110.654 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -157.96 169.58 24.26 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.401 1.08 . . . . 0.0 111.37 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.0 p -139.46 157.86 45.12 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.6 t -133.39 127.95 54.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 O-C-N 121.737 -0.602 . . . . 0.0 109.676 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -89.28 138.41 31.46 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 t -115.47 115.37 49.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.09 175.84 9.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.425 1.09 . . . . 0.0 108.974 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.19 39.36 28.88 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.061 0.945 . . . . 0.0 111.466 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 67.63 6.4 4.98 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.01 2.124 . . . . 0.0 110.831 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.19 -10.35 24.6 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.458 1.98 . . . . 0.0 110.976 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.47 -4.7 31.96 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.244 1.022 . . . . 0.0 111.69 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.1 m -131.76 101.33 5.42 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.09 110.66 22.99 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 103.743 -2.688 . . . . 0.0 103.743 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -99.21 97.31 8.41 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.3 mt -84.9 128.42 38.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.789 1.635 . . . . 0.0 108.73 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -134.03 121.74 22.0 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -78.97 144.64 34.57 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.0 82.02 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 126.143 1.777 . . . . 0.0 114.67 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.326 0 C-N-CA 124.601 1.096 . . . . 0.0 111.654 -179.416 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtp . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -141.18 155.06 46.12 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 126.081 1.753 . . . . 0.0 106.654 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -80.61 174.34 11.71 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 119.081 0.855 . . . . 0.0 109.514 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.4 m -142.25 165.18 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 C-N-CA 125.64 1.576 . . . . 0.0 108.981 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.5 m -116.48 115.08 25.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.7 mt -111.68 131.93 61.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 127.177 2.191 . . . . 0.0 107.536 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -114.44 131.37 56.63 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.649 1.18 . . . . 0.0 110.596 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.5 110.86 19.88 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -92.66 109.78 21.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 103.87 -2.641 . . . . 0.0 103.87 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.01 136.03 34.73 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 126.771 2.028 . . . . 0.0 109.202 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.3 mt -129.15 126.36 64.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 126.977 2.111 . . . . 0.0 106.741 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -119.22 138.76 52.75 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.77 -15.94 59.92 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.234 1.413 . . . . 0.0 109.789 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -60.59 -14.71 21.78 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 129.022 2.929 . . . . 0.0 112.332 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.22 35.2 4.26 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -152.74 175.51 12.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.227 -1.161 . . . . 0.0 111.463 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.3 p -142.63 161.18 38.75 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 128.434 2.694 . . . . 0.0 107.222 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -152.54 160.93 43.19 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.136 1.374 . . . . 0.0 107.697 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -130.22 145.79 51.77 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.46 147.38 43.18 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -139.88 137.85 35.2 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -128.99 134.38 48.14 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 125.574 1.55 . . . . 0.0 107.33 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -124.77 109.87 13.62 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.516 1.926 . . . . 0.0 106.451 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.54 -162.31 30.84 Favored Glycine 0 C--O 1.238 0.401 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.9 p -64.17 154.58 34.33 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 107.059 -1.459 . . . . 0.0 107.059 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -55.2 -34.03 63.56 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 120.826 -1.171 . . . . 0.0 111.241 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -80.75 -27.48 36.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.352 -0.832 . . . . 0.0 112.399 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -89.85 -24.26 21.45 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 119.128 0.876 . . . . 0.0 111.222 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.81 -12.51 59.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.366 -0.834 . . . . 0.0 109.043 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.3 m -103.27 -41.94 5.89 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.826 1.25 . . . . 0.0 108.624 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -68.34 -25.27 65.01 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 119.061 0.846 . . . . 0.0 110.94 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -85.86 -30.33 23.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.603 -0.686 . . . . 0.0 109.719 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.18 -46.72 82.75 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.299 1.04 . . . . 0.0 111.613 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -71.75 -30.62 65.79 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.132 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.67 74.0 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.171 0.51 . . . . 0.0 109.778 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -66.46 -33.85 76.61 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.409 -0.807 . . . . 0.0 109.187 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -44.78 46.46 Favored 'General case' 0 C--O 1.223 -0.332 0 O-C-N 121.377 -0.827 . . . . 0.0 109.084 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.92 -36.37 48.81 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 127.003 2.121 . . . . 0.0 115.238 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -65.25 -26.67 68.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.436 1.016 . . . . 0.0 111.025 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.05 -10.82 54.3 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 125.271 1.429 . . . . 0.0 110.657 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.95 -30.87 71.89 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.079 1.351 . . . . 0.0 111.066 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.33 -4.23 44.03 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.807 0.843 . . . . 0.0 111.83 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -123.32 -32.64 3.38 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.669 1.587 . . . . 0.0 113.064 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -114.59 -12.58 12.23 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.803 1.241 . . . . 0.0 112.937 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.72 -170.24 43.74 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 119.149 0.886 . . . . 0.0 111.303 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.68 159.76 8.22 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 122.805 1.288 . . . . 0.0 111.607 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -134.89 175.17 9.81 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 126.062 1.745 . . . . 0.0 109.661 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.0 p -130.12 148.71 51.99 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 128.018 2.527 . . . . 0.0 105.686 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -138.5 149.66 24.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -129.78 109.93 11.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.358 1.863 . . . . 0.0 106.772 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.51 101.8 8.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.65 179.36 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.152 1.381 . . . . 0.0 110.771 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t70 50.61 60.52 3.8 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.415 1.486 . . . . 0.0 111.219 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 57.46 3.55 0.18 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.973 2.109 . . . . 0.0 113.802 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.64 30.54 4.28 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.324 1.44 . . . . 0.0 110.637 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -125.68 5.61 7.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.806 1.303 . . . . 0.0 112.685 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.0 m -135.54 117.72 15.51 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.3 mt -117.43 110.54 18.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.7 114.45 26.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 102.376 -3.194 . . . . 0.0 102.376 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mt -112.26 127.9 69.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.681 1.592 . . . . 0.0 108.776 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -132.86 135.14 45.43 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.497 1.119 . . . . 0.0 109.308 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -98.53 146.44 25.78 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.134 1.374 . . . . 0.0 108.371 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.16 86.73 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 110.603 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.695 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.899 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptm . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 121.371 0.605 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -153.99 167.07 31.01 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 127.627 2.371 . . . . 0.0 106.211 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -92.51 170.52 9.69 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.499 1.12 . . . . 0.0 108.262 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.8 m -145.19 170.31 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 C-N-CA 127.881 2.472 . . . . 0.0 107.517 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -130.39 122.58 28.09 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 103.464 -2.791 . . . . 0.0 103.464 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mt -118.8 131.45 71.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 131.12 38.34 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.12 110.6 17.26 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.87 0.868 . . . . 0.0 110.334 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -91.75 128.25 37.52 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mp -127.49 134.15 49.82 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.6 125.86 62.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 124.483 1.113 . . . . 0.0 109.46 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -99.87 143.54 29.97 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.06 -9.96 44.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.558 0.743 . . . . 0.0 109.943 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -64.73 -18.16 64.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 128.995 2.918 . . . . 0.0 112.918 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.35 31.85 6.98 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 109.864 -1.295 . . . . 0.0 109.864 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.2 m -139.89 130.9 26.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.557 1.543 . . . . 0.0 108.89 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.1 p -113.41 158.09 21.09 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -146.7 145.45 30.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.126 -0.984 . . . . 0.0 110.466 -178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.95 135.92 40.64 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 126.403 1.881 . . . . 0.0 106.885 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.87 157.56 43.31 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -154.87 151.66 28.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -136.27 145.22 45.34 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 125.19 1.396 . . . . 0.0 108.454 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.04 125.9 32.58 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.176 1.79 . . . . 0.0 109.377 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.1 -163.59 36.92 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 107.075 -2.41 . . . . 0.0 107.075 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 p -67.8 170.5 7.91 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.116 -1.226 . . . . 0.0 109.343 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.76 -30.58 61.5 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.176 0.99 . . . . 0.0 110.39 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -96.78 -25.73 15.39 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 117.687 -1.149 . . . . 0.0 112.88 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -79.32 -21.11 46.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.417 1.008 . . . . 0.0 110.719 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.72 1.0 40.01 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.917 0.887 . . . . 0.0 112.887 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.0 m -107.16 -42.41 4.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 120.053 1.297 . . . . 0.0 114.398 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.3 m -71.74 -24.21 61.74 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 121.473 1.942 . . . . 0.0 109.364 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.15 -39.52 89.88 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.38 89.6 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.932 -0.48 . . . . 0.0 110.088 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -72.52 -29.56 63.7 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.79 -36.15 75.47 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -64.27 -34.78 78.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.12 -41.72 57.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.588 0.755 . . . . 0.0 109.32 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.97 -36.16 74.38 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 126.38 1.872 . . . . 0.0 112.015 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.0 t -73.3 -6.16 44.27 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.567 -0.708 . . . . 0.0 110.557 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.9 mt -111.35 -10.77 14.21 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.477 1.911 . . . . 0.0 109.439 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.16 -16.56 63.66 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.371 1.868 . . . . 0.0 109.895 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.89 -2.64 56.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.704 2.001 . . . . 0.0 111.001 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -126.27 -29.32 3.01 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.565 1.146 . . . . 0.0 112.296 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -114.54 -34.28 5.28 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.184 0.993 . . . . 0.0 113.039 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.43 -158.15 16.02 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 119.637 1.108 . . . . 0.0 111.188 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -52.19 155.62 1.91 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.994 1.318 . . . . 0.0 113.151 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -145.99 168.41 20.95 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.847 1.659 . . . . 0.0 110.47 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -131.41 160.14 35.95 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.23 1.412 . . . . 0.0 109.149 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.3 p -147.7 143.28 19.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 O-C-N 121.729 -0.607 . . . . 0.0 111.547 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.53 109.19 12.92 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -83.43 112.94 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 105.2 -2.148 . . . . 0.0 105.2 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.3 -179.27 5.41 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.007 0.523 . . . . 0.0 110.282 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.49 59.69 4.4 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 126.166 1.786 . . . . 0.0 108.974 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 52.74 21.54 1.95 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.745 1.218 . . . . 0.0 113.185 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.7 -8.43 65.98 Favored Glycine 0 CA--C 1.532 1.145 0 O-C-N 120.932 -1.105 . . . . 0.0 113.029 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -80.35 -11.86 59.66 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.153 1.381 . . . . 0.0 114.235 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.7 m -130.23 101.22 5.69 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -93.59 116.08 28.58 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -101.55 100.28 10.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.6 mt -103.52 136.94 34.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 126.338 1.855 . . . . 0.0 108.958 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -134.83 140.95 46.24 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.814 1.646 . . . . 0.0 109.264 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -101.39 146.56 27.43 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.723 -1.236 . . . . 0.0 108.797 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.78 -34.3 39.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.398 0.618 . . . . 0.0 110.087 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.601 0 C-N-CA 126.698 2.094 . . . . 0.0 112.825 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -146.85 157.89 43.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -154.84 173.3 16.67 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.755 1.622 . . . . 0.0 107.687 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 m -140.24 174.58 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 125.371 1.469 . . . . 0.0 109.001 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 m -118.99 110.85 17.6 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 mt -110.48 121.62 63.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.796 1.639 . . . . 0.0 107.726 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -105.8 110.14 22.34 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.233 1.413 . . . . 0.0 110.03 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.62 129.47 34.84 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 120.792 -1.192 . . . . 0.0 109.688 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -86.42 128.98 35.01 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -126.42 122.11 34.37 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mt -129.11 148.39 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -127.46 140.93 51.83 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.71 -20.32 64.78 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.626 1.57 . . . . 0.0 110.873 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -63.94 -17.23 63.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.167 1.387 . . . . 0.0 110.732 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.16 48.36 1.73 Allowed Glycine 0 C--N 1.338 0.665 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 m -135.48 155.99 49.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.099 0.959 . . . . 0.0 110.208 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -137.95 137.82 38.34 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.642 1.177 . . . . 0.0 109.458 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -141.02 166.54 24.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 127.107 2.163 . . . . 0.0 109.231 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.3 m -142.78 134.83 27.17 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 105.01 -2.219 . . . . 0.0 105.01 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.69 135.48 53.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 103.855 -2.646 . . . . 0.0 103.855 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -120.32 136.83 54.56 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -123.28 152.78 41.03 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.638 1.575 . . . . 0.0 108.433 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.99 166.13 23.1 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 127.79 2.436 . . . . 0.0 105.595 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.87 -172.81 14.42 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.5 p -62.9 158.58 18.73 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.35 0.595 . . . . 0.0 109.625 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -50.15 -51.27 44.9 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.422 1.089 . . . . 0.0 111.698 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -70.79 -25.44 62.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -82.58 -23.4 34.45 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.538 1.063 . . . . 0.0 110.903 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.07 0.99 56.24 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.393 -0.817 . . . . 0.0 109.557 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.1 m -108.4 -42.3 4.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.652 1.181 . . . . 0.0 109.995 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 p -70.22 -24.94 63.18 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.173 0.897 . . . . 0.0 111.859 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -85.22 -36.89 20.68 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.49 85.18 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.963 -0.46 . . . . 0.0 109.779 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -73.06 -29.59 63.08 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.957 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.59 -36.93 73.82 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.526 1.057 . . . . 0.0 109.969 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -63.21 -32.12 73.44 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.303 -0.873 . . . . 0.0 109.334 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.5 -40.31 61.88 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.873 0.869 . . . . 0.0 109.54 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.58 -29.96 64.88 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -71.8 -30.12 65.18 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.239 1.381 . . . . 0.0 109.926 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.5 mt -79.89 -10.21 59.75 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.935 1.294 . . . . 0.0 112.302 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.21 -43.49 94.87 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.071 0.949 . . . . 0.0 108.851 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.59 -11.39 43.84 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.371 1.468 . . . . 0.0 112.734 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -113.71 -3.88 13.48 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 125.25 1.42 . . . . 0.0 112.966 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -139.12 -64.46 0.5 Allowed 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 119.376 0.989 . . . . 0.0 110.532 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.47 -161.88 28.73 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 107.022 -2.431 . . . . 0.0 107.022 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -61.68 160.6 11.32 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.331 0.586 . . . . 0.0 110.492 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 48.9 p-90 -143.44 167.35 22.39 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.959 1.304 . . . . 0.0 109.212 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 p -123.18 161.1 25.14 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.746 1.218 . . . . 0.0 108.916 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -146.33 146.47 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-O 121.466 0.651 . . . . 0.0 109.788 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -136.65 120.23 17.13 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.259 1.423 . . . . 0.0 107.813 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.2 t -80.73 122.94 36.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.95 -175.9 4.69 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.862 0.865 . . . . 0.0 109.236 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 t70 52.97 48.48 22.33 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.55 1.54 . . . . 0.0 111.071 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 63.03 9.41 3.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.322 1.449 . . . . 0.0 112.218 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.48 0.13 53.33 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 126.112 1.815 . . . . 0.0 111.242 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.97 -22.21 29.25 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 119.435 1.617 . . . . 0.0 111.526 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 m -131.23 103.1 6.28 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.551 0.691 . . . . 0.0 111.065 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.03 131.16 36.79 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 128.678 2.791 . . . . 0.0 106.442 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.46 92.43 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.479 1.512 . . . . 0.0 108.583 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.1 mt -93.34 133.45 34.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -133.95 141.36 47.27 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.636 0.774 . . . . 0.0 109.443 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -97.31 165.38 12.05 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.213 0.205 . . . . 0.0 110.837 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.0 -16.25 7.09 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 117.573 -1.682 . . . . 0.0 109.785 -178.857 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.0 mtt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -133.91 164.49 27.17 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.321 1.448 . . . . 0.0 107.677 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.77 168.64 19.15 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.227 1.411 . . . . 0.0 112.008 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m -143.77 169.26 10.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 127.215 2.206 . . . . 0.0 106.931 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -122.78 95.3 4.57 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.9 mt -91.54 132.36 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 128.165 2.586 . . . . 0.0 108.303 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -102.0 119.32 38.61 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.922 2.089 . . . . 0.0 113.488 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.19 110.23 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -89.89 115.79 27.47 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.7 mt -111.61 134.83 52.92 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.978 1.311 . . . . 0.0 109.591 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.66 108.87 14.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 C-N-CA 129.549 3.14 . . . . 0.0 107.981 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -92.61 149.92 21.04 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.53 -12.56 53.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.177 0.591 . . . . 0.0 109.877 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -69.98 -6.52 33.84 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.314 1.845 . . . . 0.0 110.162 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.03 51.62 5.29 Favored Glycine 0 C--N 1.337 0.587 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -156.44 132.66 9.91 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.124 1.77 . . . . 0.0 106.792 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.5 p -110.76 153.32 25.5 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -141.62 143.0 33.43 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.876 0.87 . . . . 0.0 109.428 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.53 147.62 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.49 146.98 24.03 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.87 149.77 51.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -127.07 134.19 50.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -111.81 109.7 19.66 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 126.358 1.863 . . . . 0.0 107.308 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.19 -172.25 44.74 Favored Glycine 0 C--N 1.332 0.31 0 O-C-N 121.584 -0.697 . . . . 0.0 111.455 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -64.18 171.58 2.93 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 122.003 0.906 . . . . 0.0 109.387 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -68.36 -7.08 28.11 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.319 -0.863 . . . . 0.0 111.793 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -116.31 -25.82 7.39 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.051 -1.031 . . . . 0.0 111.955 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -82.53 -9.62 59.33 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.91 1.232 . . . . 0.0 111.643 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.32 -17.22 11.36 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.5 m -80.41 -43.48 20.93 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.575 1.534 . . . . 0.0 110.886 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 m -72.86 -23.22 60.72 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 121.032 -1.042 . . . . 0.0 108.921 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.04 -45.95 69.14 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.76 96.17 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.496 0.589 . . . . 0.0 109.692 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -72.42 -29.97 64.19 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 122.169 -0.332 . . . . 0.0 110.525 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.82 64.92 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 120.666 -1.271 . . . . 0.0 108.163 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.11 -32.8 73.42 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.89 49.96 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.555 0.742 . . . . 0.0 109.262 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.13 -36.79 71.11 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.712 1.605 . . . . 0.0 111.499 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -74.61 -10.33 59.44 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.969 0.804 . . . . 0.0 111.447 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.0 mt -101.09 -23.41 14.49 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.027 1.331 . . . . 0.0 109.778 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.98 -35.19 76.15 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 127.412 2.285 . . . . 0.0 110.713 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.12 -14.04 43.73 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.114 0.966 . . . . 0.0 112.699 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.87 -1.7 8.85 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.293 1.437 . . . . 0.0 112.243 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -135.62 -14.49 1.91 Allowed 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.07 -173.77 41.52 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -56.28 160.62 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 126.472 1.909 . . . . 0.0 112.841 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -144.61 -179.42 6.55 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.571 1.548 . . . . 0.0 111.407 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.7 p -138.9 151.83 47.26 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.114 1.765 . . . . 0.0 107.993 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 p -141.17 128.16 21.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 119.304 0.957 . . . . 0.0 109.254 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -104.42 114.79 29.25 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 104.335 -2.468 . . . . 0.0 104.335 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.87 115.49 30.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.44 -175.84 4.07 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.214 1.006 . . . . 0.0 110.498 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 56.57 41.35 28.69 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 67.37 4.46 3.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.027 2.131 . . . . 0.0 111.829 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.87 3.71 19.69 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 126.63 2.062 . . . . 0.0 111.473 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -86.83 -2.18 58.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.706 1.253 . . . . 0.0 112.111 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.6 m -132.49 130.53 40.59 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.7 mt -124.6 109.87 13.73 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -104.34 95.13 5.73 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.6 mt -92.7 135.75 26.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 125.187 1.395 . . . . 0.0 110.767 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -134.94 123.09 22.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.246 1.018 . . . . 0.0 109.658 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -87.31 152.22 22.46 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.23 -40.09 62.65 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.211 0.605 . . . . 0.0 110.164 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.814 0 CA-C-O 118.078 -1.401 . . . . 0.0 111.164 179.578 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -150.8 126.37 10.18 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 104.407 -2.442 . . . . 0.0 104.407 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 15.5 mp0 -72.17 162.05 30.01 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.327 1.051 . . . . 0.0 111.219 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.73 169.05 19.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 125.592 1.557 . . . . 0.0 109.47 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.2 m -129.13 108.15 10.14 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.0 mt -108.91 132.08 57.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 126.843 2.057 . . . . 0.0 108.941 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -105.1 131.56 52.44 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 123.891 0.876 . . . . 0.0 109.562 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.5 110.66 20.18 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -97.04 129.02 44.54 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 101.713 -3.439 . . . . 0.0 101.713 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mp -118.79 135.68 54.39 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.687 1.195 . . . . 0.0 110.338 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.03 129.72 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.866 1.666 . . . . 0.0 106.708 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -114.2 149.05 36.36 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.264 1.026 . . . . 0.0 110.711 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.63 -13.74 62.34 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -59.08 -19.07 40.95 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.955 2.502 . . . . 0.0 110.853 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.92 45.87 3.26 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.264 -1.535 . . . . 0.0 109.264 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 p -165.19 167.41 18.11 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.671 -0.9 . . . . 0.0 110.435 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.2 p -126.42 167.27 15.79 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.685 1.594 . . . . 0.0 108.74 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -148.69 166.24 28.95 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 126.663 1.985 . . . . 0.0 108.972 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -147.01 148.05 31.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.13 140.32 27.92 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -120.41 119.78 34.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -112.05 146.66 37.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -132.19 149.61 52.35 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 125.231 1.413 . . . . 0.0 108.018 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.9 -154.22 22.1 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.8 p -74.21 163.81 27.38 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.838 0.828 . . . . 0.0 109.787 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.9 -13.17 5.59 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.125 2.17 . . . . 0.0 113.648 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -115.65 -26.0 7.63 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 118.094 -0.955 . . . . 0.0 111.735 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -81.67 -24.43 36.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.139 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.38 -18.39 36.29 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 120.729 -1.232 . . . . 0.0 110.34 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.6 m -88.1 -38.78 15.11 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 m -68.55 -25.54 64.97 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.776 -0.631 . . . . 0.0 109.848 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.72 -35.85 60.14 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.69 98.42 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.092 0.86 . . . . 0.0 109.596 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -72.53 -29.36 63.52 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.126 0.57 . . . . 0.0 111.383 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.65 -43.73 53.9 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.566 0.746 . . . . 0.0 109.153 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -61.85 -39.48 92.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.767 1.227 . . . . 0.0 108.755 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.08 -18.7 60.78 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.859 -0.525 . . . . 0.0 111.502 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.56 -37.23 82.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.289 0.949 . . . . 0.0 110.685 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.21 1.44 11.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.095 0.958 . . . . 0.0 110.329 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -116.4 -27.49 6.77 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 126.284 1.833 . . . . 0.0 108.055 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.31 -48.97 75.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.384 1.447 . . . . 0.0 108.821 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.97 -9.66 55.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.897 0.879 . . . . 0.0 112.88 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -115.46 -14.62 11.55 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.245 -0.909 . . . . 0.0 113.327 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -121.35 -48.41 2.2 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.867 1.267 . . . . 0.0 111.663 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.11 -166.94 24.27 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.09 165.53 3.33 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 122.319 1.057 . . . . 0.0 110.622 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -143.29 169.18 18.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 122.285 1.041 . . . . 0.0 112.086 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.7 p -128.11 144.91 51.14 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.66 147.82 33.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 122.326 1.06 . . . . 0.0 109.197 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.44 138.1 47.5 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.975 2.51 . . . . 0.0 105.389 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.6 p -116.48 128.42 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.48 -177.16 5.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.42 1.088 . . . . 0.0 110.625 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 55.16 41.75 31.26 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.079 1.351 . . . . 0.0 110.872 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 66.39 10.7 7.47 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.976 2.11 . . . . 0.0 111.788 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.19 -7.36 30.76 Favored Glycine 0 CA--C 1.523 0.594 0 C-N-CA 125.279 1.419 . . . . 0.0 111.484 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -77.9 -7.77 57.18 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.493 1.146 . . . . 0.0 111.674 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.2 m -132.95 136.14 45.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 119.343 0.974 . . . . 0.0 108.647 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.3 mt -125.95 131.83 52.2 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 126.086 1.754 . . . . 0.0 107.07 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -112.7 116.15 29.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.2 mt -111.68 128.86 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.543 -2.392 . . . . 0.0 104.543 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -133.25 107.97 8.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -68.82 141.61 55.09 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.52 81.06 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.828 0.851 . . . . 0.0 112.52 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.349 0 C-N-CA 125.97 1.748 . . . . 0.0 109.432 -179.283 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.355 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -88.28 -178.85 6.01 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.896 1.279 . . . . 0.0 109.881 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -140.74 154.52 46.34 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 125.22 1.408 . . . . 0.0 108.146 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.18 166.75 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 124.898 1.279 . . . . 0.0 108.626 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.4 m -125.55 141.21 52.16 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.007 1.323 . . . . 0.0 111.018 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.7 mt -126.69 119.94 54.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.979 2.112 . . . . 0.0 108.664 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -100.57 109.44 21.53 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 123.779 0.831 . . . . 0.0 109.351 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.97 113.78 23.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -97.96 128.81 44.76 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 102.288 -3.227 . . . . 0.0 102.288 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -127.22 135.55 50.79 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.382 0.673 . . . . 0.0 110.66 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.5 mt -121.21 124.7 72.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 125.788 1.635 . . . . 0.0 106.955 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -101.18 151.11 22.24 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -16.01 61.66 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.674 0.749 . . . . 0.0 109.931 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -66.49 -3.75 6.89 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.414 2.286 . . . . 0.0 111.211 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.78 31.74 55.34 Favored Glycine 0 C--N 1.338 0.644 0 O-C-N 120.678 -1.264 . . . . 0.0 111.554 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.6 156.81 47.14 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.1 p -123.23 177.95 5.34 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -156.03 163.05 40.17 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 m -144.97 144.24 30.94 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.99 113.14 7.53 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -96.8 110.76 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -107.8 148.16 29.89 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 126.366 1.866 . . . . 0.0 109.582 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -132.38 161.19 34.23 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.835 1.254 . . . . 0.0 108.323 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.05 -150.75 20.05 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 106.67 -2.572 . . . . 0.0 106.67 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 p -73.21 167.4 21.25 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -62.15 -45.68 92.34 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.99 -1.068 . . . . 0.0 108.594 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -72.1 -26.15 62.03 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.352 1.461 . . . . 0.0 113.119 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -87.98 -23.15 23.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 118.994 0.815 . . . . 0.0 112.112 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.35 -17.54 24.54 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.336 0.517 . . . . 0.0 109.822 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.6 m -75.26 -42.1 55.85 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.24 -24.04 62.11 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.415 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -65.77 -46.39 78.95 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.35 83.86 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.396 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -73.06 -29.07 62.7 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.541 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.57 -46.01 60.62 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -59.77 -32.5 70.64 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.692 1.197 . . . . 0.0 109.225 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.88 -49.37 20.63 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.746 1.218 . . . . 0.0 109.665 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.41 -37.42 70.15 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.922 1.689 . . . . 0.0 113.567 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 t -71.22 -25.66 62.6 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.274 0.943 . . . . 0.0 110.533 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -86.16 -16.32 38.23 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.558 1.143 . . . . 0.0 111.471 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.03 -30.01 71.11 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.225 1.41 . . . . 0.0 110.237 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.61 -10.5 59.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.009 1.324 . . . . 0.0 111.689 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -115.96 -53.74 2.54 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 125.027 1.331 . . . . 0.0 113.397 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -79.36 -63.32 1.44 Allowed 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.236 -0.29 . . . . 0.0 110.721 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.43 -163.69 28.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.589 -1.804 . . . . 0.0 108.589 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.96 166.64 1.91 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.005 0.922 . . . . 0.0 112.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -156.27 167.9 28.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.617 1.167 . . . . 0.0 111.082 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.2 p -130.73 162.22 29.96 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.613 1.565 . . . . 0.0 107.088 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 p -143.37 137.04 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -120.31 114.51 21.97 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.0 t -80.31 114.84 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 125.0 1.32 . . . . 0.0 109.92 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.33 176.16 7.91 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.06 1.344 . . . . 0.0 110.046 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 48.51 59.85 4.06 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 126.795 2.038 . . . . 0.0 110.392 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 63.4 -15.55 0.07 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.905 2.482 . . . . 0.0 113.982 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.33 0.04 3.44 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 127.254 2.359 . . . . 0.0 111.654 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -82.62 -18.33 41.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.171 1.486 . . . . 0.0 112.142 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.3 m -124.05 101.23 7.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 119.907 1.23 . . . . 0.0 110.762 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.3 mt -93.03 110.29 21.76 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 102.195 -3.261 . . . . 0.0 102.195 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -92.9 92.91 8.11 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.1 mt -86.94 132.86 31.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 124.406 1.082 . . . . 0.0 108.112 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.49 109.48 9.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -70.43 147.0 49.97 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 121.886 -0.509 . . . . 0.0 110.366 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.01 -40.29 8.93 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.593 1.957 . . . . 0.0 106.987 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -123.19 156.72 34.55 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 123.699 0.8 . . . . 0.0 110.571 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -97.08 161.71 13.7 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.838 1.255 . . . . 0.0 111.219 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.1 m -143.48 169.71 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 128.498 2.719 . . . . 0.0 107.778 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -123.2 125.88 45.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.126 -2.176 . . . . 0.0 105.126 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.5 mt -126.14 120.97 58.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -109.14 131.86 54.67 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 124.006 0.923 . . . . 0.0 110.864 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.11 110.48 22.76 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 126.634 1.974 . . . . 0.0 109.494 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -90.08 109.75 20.79 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 102.456 -3.164 . . . . 0.0 102.456 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -109.26 131.57 54.94 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.865 0.866 . . . . 0.0 112.746 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.2 122.64 54.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 128.745 2.818 . . . . 0.0 107.908 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -97.86 151.13 20.55 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.7 -10.2 50.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.68 0.392 . . . . 0.0 110.122 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -74.64 -10.24 59.35 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.978 1.311 . . . . 0.0 112.11 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.0 32.34 14.75 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 108.217 -1.953 . . . . 0.0 108.217 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.6 m -130.94 140.13 50.14 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 127.672 2.389 . . . . 0.0 107.134 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.1 p -122.92 169.34 11.24 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -150.36 148.99 29.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.813 0.845 . . . . 0.0 109.365 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -112.55 110.17 20.18 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.467 1.907 . . . . 0.0 106.221 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.18 143.36 46.41 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.67 158.42 44.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.42 -0.8 . . . . 0.0 110.027 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -137.73 153.4 49.76 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.823 1.249 . . . . 0.0 109.743 -178.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -132.13 140.32 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.493 1.517 . . . . 0.0 107.443 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.1 -162.92 31.2 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.5 p -68.43 173.79 4.64 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 122.206 1.003 . . . . 0.0 108.731 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -68.33 -3.89 12.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.386 -1.446 . . . . 0.0 110.906 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -115.8 -4.29 12.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.811 1.644 . . . . 0.0 112.897 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -111.39 7.45 20.9 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.194 1.361 . . . . 0.0 113.722 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.33 -17.86 4.61 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.5 m -91.2 -42.55 10.36 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.88 1.673 . . . . 0.0 110.472 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -23.67 62.55 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -67.59 -49.51 62.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.41 94.11 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 118.902 -0.571 . . . . 0.0 110.864 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -72.36 -31.14 65.35 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.356 -0.83 . . . . 0.0 110.561 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.02 -44.25 55.12 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 120.0 1.273 . . . . 0.0 109.22 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -56.12 -43.39 78.1 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 124.934 1.293 . . . . 0.0 107.798 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.9 61.62 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 118.52 -0.752 . . . . 0.0 112.097 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.69 -34.72 77.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.541 1.064 . . . . 0.0 108.761 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -13.03 59.14 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.411 0.684 . . . . 0.0 110.292 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.2 mt -107.68 -9.47 15.83 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.357 1.863 . . . . 0.0 110.166 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.18 -42.9 99.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.99 -44.62 97.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.318 1.847 . . . . 0.0 110.544 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -77.49 -9.56 58.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.989 0.915 . . . . 0.0 112.803 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -133.35 -63.26 0.76 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.94 -178.69 31.49 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 128.207 2.813 . . . . 0.0 107.861 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -61.55 151.53 32.86 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 117.904 0.852 . . . . 0.0 110.425 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -124.67 171.57 9.96 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.886 1.274 . . . . 0.0 113.651 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 p -134.03 160.44 37.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.907 1.683 . . . . 0.0 108.168 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.3 145.97 18.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 O-C-N 121.432 -0.793 . . . . 0.0 109.612 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -118.6 108.73 15.31 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 105.31 -2.108 . . . . 0.0 105.31 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.7 t -81.0 114.54 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.82 -178.62 5.89 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.577 0.751 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.42 58.86 5.06 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 126.681 1.993 . . . . 0.0 111.177 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 59.77 17.1 6.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.888 2.075 . . . . 0.0 111.762 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.41 -4.88 67.25 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.682 2.087 . . . . 0.0 112.151 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -81.83 -12.67 58.4 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.8 m -120.4 102.91 8.79 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.0 mt -93.02 110.04 21.51 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 103.17 -2.9 . . . . 0.0 103.17 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -92.67 99.36 12.07 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.8 mt -98.04 134.63 35.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 123.372 0.669 . . . . 0.0 109.43 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -132.51 124.47 28.56 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.629 1.171 . . . . 0.0 108.323 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -89.96 163.41 14.96 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -118.88 -53.19 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.684 1.594 . . . . 0.0 110.534 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -178.715 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -152.9 67.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -151.61 148.9 28.53 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.0 m -124.75 174.33 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 124.851 1.26 . . . . 0.0 110.494 -178.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m -128.44 94.8 3.97 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.7 mt -93.33 131.06 41.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -104.33 124.71 49.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.39 110.45 22.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -86.84 135.1 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mp -125.56 135.24 52.02 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.099 0.959 . . . . 0.0 111.297 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mp -129.73 119.66 48.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 126.795 2.038 . . . . 0.0 106.712 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -102.18 148.05 25.89 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.6 -12.84 61.33 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.645 0.259 . . . . 0.0 110.62 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -75.45 25.59 0.1 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.425 2.29 . . . . 0.0 109.437 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.97 32.73 35.13 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 120.466 -1.396 . . . . 0.0 111.913 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -118.93 126.8 52.62 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.119 1.367 . . . . 0.0 110.511 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 p -110.35 138.01 47.31 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 126.261 1.824 . . . . 0.0 108.624 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -153.25 166.17 33.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.978 1.311 . . . . 0.0 109.058 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -146.68 152.26 38.57 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 120.269 -1.52 . . . . 0.0 107.769 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.73 147.13 51.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.309 -1.738 . . . . 0.0 106.309 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -132.09 136.77 47.4 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -125.63 163.61 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.834 1.254 . . . . 0.0 109.727 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -132.53 156.6 46.52 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 125.237 1.415 . . . . 0.0 107.808 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.0 -166.39 22.08 Favored Glycine 0 C--O 1.237 0.343 0 N-CA-C 108.704 -1.758 . . . . 0.0 108.704 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.7 p -68.59 161.42 28.05 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -51.87 -49.76 62.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.646 0.778 . . . . 0.0 112.769 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.14 -25.69 62.68 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 117.994 -1.003 . . . . 0.0 112.687 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -84.69 -23.11 29.54 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 120.485 1.493 . . . . 0.0 110.217 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.11 -18.38 55.75 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.012 -1.106 . . . . 0.0 108.012 177.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.9 m -86.6 -41.48 14.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.1 p -68.74 -25.4 64.72 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 119.418 1.008 . . . . 0.0 110.561 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -78.18 -48.48 15.77 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.451 1.1 . . . . 0.0 108.321 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.9 92.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.332 0.653 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -73.58 -30.94 63.32 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 118.976 -0.535 . . . . 0.0 110.717 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.6 -28.99 62.12 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.287 0.949 . . . . 0.0 108.841 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -68.87 -27.59 65.94 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.714 -1.241 . . . . 0.0 110.151 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.02 -28.38 61.41 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.992 -1.068 . . . . 0.0 108.822 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.95 -36.81 84.68 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.25 1.42 . . . . 0.0 111.204 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -79.33 8.76 5.54 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.146 -0.971 . . . . 0.0 111.296 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.8 mt -129.19 -18.24 3.71 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.277 1.431 . . . . 0.0 110.768 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -67.64 -53.79 25.03 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 126.491 1.916 . . . . 0.0 110.232 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -63.88 -14.85 56.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.562 0.745 . . . . 0.0 111.9 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -91.79 -49.64 6.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.823 1.249 . . . . 0.0 109.379 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -97.65 -76.32 0.52 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.695 1.198 . . . . 0.0 113.669 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.51 -176.1 47.89 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 126.611 2.053 . . . . 0.0 108.574 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -61.8 169.46 2.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 122.085 0.945 . . . . 0.0 111.425 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -145.54 166.43 25.72 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.74 0.816 . . . . 0.0 110.179 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.6 p -130.7 158.83 39.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 p -138.43 116.45 12.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.07 108.47 19.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.7 t -80.93 131.47 33.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 124.574 1.15 . . . . 0.0 108.41 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.96 172.89 12.06 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.585 1.154 . . . . 0.0 109.94 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 48.2 50.03 16.82 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 126.016 1.726 . . . . 0.0 109.806 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 59.2 9.6 1.4 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.881 2.073 . . . . 0.0 113.527 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.92 -8.23 16.62 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 126.367 1.937 . . . . 0.0 113.319 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -74.62 -5.97 45.98 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.121 1.461 . . . . 0.0 111.625 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.5 m -129.39 120.32 25.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 127.761 2.424 . . . . 0.0 105.956 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -125.98 110.0 13.09 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -100.43 94.59 6.24 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.668 0.787 . . . . 0.0 109.43 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -85.59 137.41 20.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 124.363 1.065 . . . . 0.0 109.286 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -134.96 120.5 19.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.421 1.088 . . . . 0.0 108.264 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -81.57 156.87 24.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.121 0.873 . . . . 0.0 109.249 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.15 -23.75 35.4 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 -179.291 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttt . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -106.07 170.89 7.65 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.76 153.45 51.71 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.54 173.69 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.775 0.83 . . . . 0.0 110.124 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.4 m -124.29 132.11 53.55 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.6 mt -123.92 130.99 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -110.26 124.52 51.77 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.25 116.5 32.08 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -90.97 125.51 35.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -119.18 134.45 55.2 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.053 0.842 . . . . 0.0 109.276 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.06 117.55 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 125.217 1.407 . . . . 0.0 108.924 -178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -88.85 139.41 30.49 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.51 -12.86 48.75 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.706 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -62.62 -21.61 65.79 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.196 2.198 . . . . 0.0 111.046 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.62 19.19 9.42 Favored Glycine 0 C--N 1.34 0.762 0 CA-C-N 118.696 0.68 . . . . 0.0 112.469 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 p -133.71 141.91 47.75 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.389 1.076 . . . . 0.0 108.899 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -112.46 164.95 12.68 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -143.34 166.19 25.44 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.235 1.414 . . . . 0.0 109.188 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 p -126.89 152.36 47.19 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.756 1.222 . . . . 0.0 108.49 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.43 149.12 20.34 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -146.34 152.62 39.41 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.75 142.92 36.76 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -131.87 128.57 38.92 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.831 1.652 . . . . 0.0 108.23 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.54 -156.56 27.55 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.3 p -69.59 163.22 25.98 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 121.231 0.539 . . . . 0.0 109.626 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -50.55 -52.04 42.45 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.638 1.175 . . . . 0.0 113.344 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.36 -26.68 52.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.592 0.633 . . . . 0.0 111.331 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -72.25 -23.81 61.27 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 118.703 0.683 . . . . 0.0 112.087 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.32 -17.59 23.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.4 m -81.16 -42.52 20.73 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.281 -0.887 . . . . 0.0 109.408 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -67.89 -25.37 65.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.099 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -79.11 -43.55 23.85 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.93 -25.26 60.67 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.155 -0.926 . . . . 0.0 113.123 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -101.87 -30.8 11.05 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.402 1.001 . . . . 0.0 109.805 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.39 73.44 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.53 1.059 . . . . 0.0 109.847 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -62.76 -38.39 90.41 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.116 0.966 . . . . 0.0 109.012 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -44.02 54.45 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.971 0.908 . . . . 0.0 108.937 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -55.01 -36.71 65.74 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.753 1.621 . . . . 0.0 111.72 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -12.71 60.94 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.347 -0.846 . . . . 0.0 111.796 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.5 mt -113.27 -11.47 13.21 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.064 1.746 . . . . 0.0 110.287 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.37 -36.82 85.39 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 126.894 2.078 . . . . 0.0 108.956 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.31 -21.8 64.75 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.555 -0.715 . . . . 0.0 110.033 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.15 -1.19 23.98 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.498 1.519 . . . . 0.0 114.614 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -145.52 -8.84 0.57 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 117.541 -1.219 . . . . 0.0 114.127 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.08 -167.19 39.52 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 120.934 1.697 . . . . 0.0 111.021 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -55.25 157.31 3.65 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.014 1.726 . . . . 0.0 112.714 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -150.33 167.0 28.32 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 125.713 1.605 . . . . 0.0 107.94 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.27 158.36 39.98 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 124.379 1.072 . . . . 0.0 108.371 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.44 141.69 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -118.24 129.74 55.65 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.8 t -95.09 128.89 45.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 123.853 0.861 . . . . 0.0 110.562 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.43 172.68 12.37 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.035 1.334 . . . . 0.0 108.616 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 51.19 44.53 28.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.529 1.532 . . . . 0.0 111.631 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 58.84 15.66 3.99 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.447 1.899 . . . . 0.0 112.379 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.44 -10.37 28.46 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-O 118.364 -1.242 . . . . 0.0 113.017 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -74.68 -15.78 60.79 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 120.082 1.941 . . . . 0.0 111.527 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.5 m -122.6 120.4 33.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.2 mt -120.25 110.25 16.36 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -95.99 101.77 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.3 mt -100.04 139.91 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 125.007 1.323 . . . . 0.0 107.865 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.21 125.29 27.49 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -84.79 149.81 25.48 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.71 -29.43 19.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 C-N-CA 126.685 2.088 . . . . 0.0 110.089 -179.067 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 119.196 -0.43 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.46 157.35 36.05 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.126 0.97 . . . . 0.0 110.996 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.98 167.1 17.23 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.911 0.862 . . . . 0.0 111.98 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -131.95 132.22 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 N-CA-C 102.715 -3.068 . . . . 0.0 102.715 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 m -100.32 98.02 8.72 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mt -98.24 111.45 27.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -92.7 131.08 38.09 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.221 1.408 . . . . 0.0 108.492 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.41 115.94 28.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.972 1.709 . . . . 0.0 108.334 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.35 133.92 35.03 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 mt -124.75 129.53 50.66 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -127.89 112.64 28.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -92.34 148.84 21.81 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.57 -20.89 66.12 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -76.81 -7.58 55.71 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.316 -0.85 . . . . 0.0 112.479 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.66 72.79 1.28 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -160.58 122.25 3.09 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.409 1.884 . . . . 0.0 106.913 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.9 p -114.44 140.79 48.41 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.381 0.537 . . . . 0.0 110.487 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -142.99 166.83 23.56 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.324 1.849 . . . . 0.0 110.798 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -136.83 135.45 37.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.453 1.901 . . . . 0.0 106.255 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.97 150.2 52.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -144.18 132.37 21.8 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -115.59 156.71 25.3 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.048 1.339 . . . . 0.0 109.766 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -132.39 139.26 48.01 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.23 -156.74 27.32 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 107.465 -2.254 . . . . 0.0 107.465 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.498 ' H ' ' HB3' ' A' ' 28' ' ' GLU . 28.0 p -89.31 176.09 7.08 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.848 1.259 . . . . 0.0 109.122 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -63.72 -17.38 62.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.227 0.611 . . . . 0.0 110.623 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -105.09 -16.12 14.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.999 1.32 . . . . 0.0 111.654 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HB3' ' H ' ' A' ' 25' ' ' THR . 26.7 tt0 -104.1 -20.9 13.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 117.343 -1.313 . . . . 0.0 113.456 -177.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.17 -13.22 19.85 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.59 1.541 . . . . 0.0 114.49 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -92.74 -43.01 9.27 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.228 1.377 . . . . 0.0 113.847 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -23.89 61.86 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.86 -37.62 88.24 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.57 -37.29 62.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.373 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -72.22 -31.05 65.5 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.273 0.942 . . . . 0.0 108.717 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.88 -28.91 62.78 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -72.44 -33.03 66.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.58 -30.28 61.65 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.871 -1.143 . . . . 0.0 110.055 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -58.63 -36.84 74.72 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.869 0.868 . . . . 0.0 111.992 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 t -71.31 -18.55 62.4 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.838 -1.164 . . . . 0.0 110.495 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.3 mt -96.44 -28.92 14.21 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 124.811 1.244 . . . . 0.0 110.68 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.41 -41.03 96.5 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.18 1.392 . . . . 0.0 109.899 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.52 2.27 1.36 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.219 1.807 . . . . 0.0 113.162 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -140.19 -30.56 0.67 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 120.939 -1.1 . . . . 0.0 113.275 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -95.74 -55.04 3.14 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.018 0.927 . . . . 0.0 111.695 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.18 -177.81 26.19 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.22 165.94 12.9 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -146.08 159.74 42.86 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.087 -1.008 . . . . 0.0 111.666 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.0 p -115.2 162.13 17.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.8 p -146.11 135.0 16.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.856 0.836 . . . . 0.0 109.186 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -111.29 109.02 18.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.8 t -87.42 123.93 40.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 125.508 1.523 . . . . 0.0 108.163 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.29 -175.78 4.67 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 124.876 1.27 . . . . 0.0 110.028 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t0 52.79 53.89 11.42 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.703 1.601 . . . . 0.0 110.729 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 58.77 16.97 4.81 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.251 1.02 . . . . 0.0 111.356 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.63 -1.97 64.33 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.516 1.531 . . . . 0.0 112.299 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -78.05 -5.43 51.4 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.4 1.6 . . . . 0.0 112.282 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.6 m -128.63 122.87 31.85 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -117.48 111.2 18.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -102.31 104.71 15.25 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.4 mt -97.5 141.38 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 124.656 1.182 . . . . 0.0 108.262 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -134.14 113.89 12.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -75.36 133.27 41.26 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.83 80.05 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.312 1.045 . . . . 0.0 109.758 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.863 -2.076 . . . . 0.0 109.767 179.809 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -52.41 158.99 1.08 Allowed 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.458 1.503 . . . . 0.0 111.027 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -67.3 170.19 7.64 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.981 0.913 . . . . 0.0 111.221 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.1 m -133.74 156.32 41.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 123.586 0.754 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -114.45 102.67 10.3 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -103.75 127.24 58.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -98.51 131.74 44.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.5 1.52 . . . . 0.0 112.204 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.28 110.94 20.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.353 1.461 . . . . 0.0 108.223 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -92.66 132.17 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mp -127.92 135.96 50.7 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.737 0.815 . . . . 0.0 109.639 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -127.07 125.9 67.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.6 141.65 32.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.18 1.392 . . . . 0.0 107.426 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.58 65.9 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.87 0.868 . . . . 0.0 110.136 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -60.03 -23.01 63.36 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.647 1.179 . . . . 0.0 111.36 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.03 47.33 1.26 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -158.45 157.49 32.32 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 125.023 1.329 . . . . 0.0 107.441 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p -130.08 173.26 10.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.946 0.898 . . . . 0.0 109.922 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -140.7 153.76 46.07 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 121.37 -0.831 . . . . 0.0 109.481 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -119.64 129.41 54.58 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.48 141.93 26.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -142.07 138.61 31.87 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -127.25 148.5 50.21 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.048 1.739 . . . . 0.0 108.993 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -122.94 149.41 44.3 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.638 1.175 . . . . 0.0 108.379 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.62 -161.08 28.35 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 p -70.04 165.88 20.93 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -61.42 -20.46 63.1 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.901 -1.124 . . . . 0.0 110.905 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -94.34 -11.84 29.2 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.861 1.664 . . . . 0.0 112.379 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -113.74 -23.32 9.75 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.81 -8.98 59.74 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.296 -1.502 . . . . 0.0 110.804 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -103.13 -41.55 6.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.596 1.559 . . . . 0.0 109.746 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -68.34 -25.0 64.88 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.398 0.999 . . . . 0.0 110.909 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.71 -37.98 82.99 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.68 -43.42 89.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.889 -0.507 . . . . 0.0 110.176 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -72.38 -29.9 64.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.854 0.752 . . . . 0.0 109.804 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.57 68.42 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -76.0 -31.86 59.14 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.086 -1.008 . . . . 0.0 109.359 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.21 62.42 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.736 -1.228 . . . . 0.0 109.892 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.51 -38.33 74.27 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.554 1.541 . . . . 0.0 113.01 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -69.14 -23.81 64.02 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.433 0.56 . . . . 0.0 109.89 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.92 -6.36 39.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.648 1.579 . . . . 0.0 112.129 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -69.62 -53.44 18.74 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.222 1.009 . . . . 0.0 108.439 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.01 -21.43 66.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.501 1.12 . . . . 0.0 112.044 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -87.55 -21.87 25.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.388 1.075 . . . . 0.0 112.578 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -131.85 -70.89 0.56 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 119.157 0.889 . . . . 0.0 113.144 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.57 -176.05 46.21 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.74 163.07 7.77 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.658 0.783 . . . . 0.0 111.2 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -150.33 170.08 19.87 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.471 -0.768 . . . . 0.0 112.311 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.6 p -135.47 163.39 30.16 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.224 1.81 . . . . 0.0 108.082 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 p -145.04 146.24 20.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 O-C-N 121.441 -0.787 . . . . 0.0 110.842 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -126.67 114.42 18.0 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.485 1.914 . . . . 0.0 108.83 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -81.04 133.79 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 124.751 1.221 . . . . 0.0 109.763 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.38 178.95 7.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.188 1.395 . . . . 0.0 110.184 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.7 t0 47.09 63.03 2.1 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 127.15 2.18 . . . . 0.0 112.965 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 57.24 6.01 0.32 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.133 1.373 . . . . 0.0 113.15 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.32 0.17 33.11 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.506 1.527 . . . . 0.0 111.145 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -81.44 -7.89 59.65 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.923 1.862 . . . . 0.0 112.063 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -127.69 132.97 49.59 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.541 1.136 . . . . 0.0 108.843 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -126.09 110.42 13.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 178.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -98.82 95.07 6.95 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mt -90.18 140.38 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 126.026 1.731 . . . . 0.0 108.391 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -134.31 124.58 26.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.208 1.803 . . . . 0.0 109.729 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -86.01 141.7 29.29 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.992 1.269 . . . . 0.0 108.676 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.41 -46.46 69.9 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.552 0 C-N-CA 124.645 1.117 . . . . 0.0 111.874 179.242 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 mtt . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -140.52 109.55 6.1 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 103.195 -2.891 . . . . 0.0 103.195 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.508 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 25.8 mp0 -50.5 135.05 23.21 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 125.86 1.664 . . . . 0.0 110.496 -177.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.2 m -109.89 174.97 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 126.602 1.961 . . . . 0.0 111.221 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -132.92 124.09 27.19 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 105.007 -2.219 . . . . 0.0 105.007 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.9 mt -126.06 118.51 51.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -92.8 109.36 20.79 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 121.246 -0.909 . . . . 0.0 108.723 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.55 117.39 24.42 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -96.99 131.65 43.59 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp -127.28 135.17 50.21 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.201 1.4 . . . . 0.0 110.374 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.3 mt -121.72 116.19 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 125.592 1.557 . . . . 0.0 108.015 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -100.77 145.32 28.66 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.95 -12.09 60.05 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -64.29 -4.72 4.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.71 2.004 . . . . 0.0 111.005 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.24 36.23 10.09 Favored Glycine 0 C--N 1.338 0.676 0 CA-C-N 119.004 0.82 . . . . 0.0 111.553 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -152.06 146.48 25.57 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 118.002 0.901 . . . . 0.0 109.529 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -112.64 140.25 47.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.481 1.513 . . . . 0.0 107.328 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -129.74 155.9 45.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -142.9 144.38 32.41 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.91 156.14 49.49 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -129.01 111.47 13.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.75 152.24 21.47 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.004 1.322 . . . . 0.0 109.391 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -132.97 166.52 22.18 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.732 1.613 . . . . 0.0 109.404 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.69 -162.13 20.88 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 107.771 -2.131 . . . . 0.0 107.771 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 p -75.35 168.06 20.71 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.516 1.658 . . . . 0.0 107.833 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -46.86 -50.24 18.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.128 1.371 . . . . 0.0 114.177 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -76.17 -26.99 56.77 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 117.899 -1.048 . . . . 0.0 113.54 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -86.41 -23.56 26.05 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.606 1.093 . . . . 0.0 110.965 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.3 -17.41 49.38 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -92.02 -40.48 11.07 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.692 1.197 . . . . 0.0 108.369 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -67.73 -25.38 65.62 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.293 -0.88 . . . . 0.0 112.197 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -74.75 -27.85 60.52 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.842 -0.536 . . . . 0.0 109.604 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.2 72.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -71.46 -31.4 67.12 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.54 81.23 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 120.114 1.325 . . . . 0.0 111.176 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -71.79 -39.55 69.84 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 121.308 -0.87 . . . . 0.0 111.055 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.73 -32.47 62.14 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.247 0.93 . . . . 0.0 110.492 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -59.58 -29.26 67.84 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 127.892 2.477 . . . . 0.0 113.036 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 t -92.15 0.55 57.46 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.651 0.78 . . . . 0.0 111.152 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -116.42 2.5 13.16 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.218 1.407 . . . . 0.0 112.746 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -68.58 -41.48 79.6 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.982 0.81 . . . . 0.0 109.51 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 18.9 mp0 -68.95 -21.88 64.16 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.099 -1.0 . . . . 0.0 110.465 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -86.32 -11.31 52.49 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 126.227 1.811 . . . . 0.0 110.845 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -140.8 -89.19 0.16 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.284 1.034 . . . . 0.0 108.388 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.02 -172.54 45.38 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 107.628 -2.189 . . . . 0.0 107.628 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.63 162.16 13.53 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.756 0.789 . . . . 0.0 110.814 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -141.11 170.12 16.32 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.883 1.273 . . . . 0.0 111.046 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 p -125.75 155.02 41.65 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 127.787 2.435 . . . . 0.0 106.452 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.83 135.23 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.807 0.813 . . . . 0.0 110.854 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.45 117.54 25.38 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.8 t -92.51 131.71 38.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 C-N-CA 124.879 1.272 . . . . 0.0 108.08 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.98 178.64 7.38 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 125.632 1.573 . . . . 0.0 110.096 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t70 51.89 53.73 12.1 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.488 1.515 . . . . 0.0 111.357 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 63.89 -7.26 0.21 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.047 1.739 . . . . 0.0 113.451 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.09 -5.64 6.04 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 126.955 2.216 . . . . 0.0 111.445 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -80.57 -8.78 59.72 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.839 1.255 . . . . 0.0 113.497 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -124.54 124.74 42.92 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.8 mt -126.02 118.87 26.24 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 126.401 1.88 . . . . 0.0 106.179 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -106.48 103.85 13.41 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.2 mt -99.0 111.24 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -112.62 117.97 33.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -82.21 129.14 34.76 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.32 -18.41 65.16 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.8 -2.111 . . . . 0.0 110.175 -179.025 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.603 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.39 121.58 14.68 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 120.337 1.426 . . . . 0.0 107.458 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -55.34 157.2 3.82 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.484 1.114 . . . . 0.0 112.077 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.7 m -131.1 139.79 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 125.457 1.503 . . . . 0.0 109.859 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 m -90.6 124.56 35.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 29' ' ' ALA . 39.2 mt -126.43 103.7 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -93.24 110.37 21.89 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.43 135.07 34.35 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.184 0.994 . . . . 0.0 110.152 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -102.68 125.92 49.59 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 11' ' ' ILE . 5.0 mp -127.27 124.63 39.27 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.603 HG13 HG22 ' A' ' 17' ' ' THR . 1.5 mp -119.59 121.55 66.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 125.64 1.576 . . . . 0.0 108.383 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -97.69 137.52 36.47 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.73 -14.47 52.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.109 1.364 . . . . 0.0 111.67 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -62.06 -19.14 62.6 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 127.488 2.315 . . . . 0.0 111.519 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.51 47.35 1.06 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -147.67 159.27 43.98 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.773 -1.428 . . . . 0.0 110.236 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.603 HG22 HG13 ' A' ' 11' ' ' ILE . 23.4 p -138.14 137.45 37.68 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.348 1.459 . . . . 0.0 107.506 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -134.92 166.29 23.36 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.277 1.031 . . . . 0.0 109.638 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.6 125.24 19.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.98 157.91 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.76 145.83 30.08 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.442 -0.786 . . . . 0.0 109.334 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -122.85 153.86 39.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 124.966 1.306 . . . . 0.0 110.151 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -133.04 109.51 9.58 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 126.139 1.776 . . . . 0.0 106.27 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.14 -173.6 44.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.6 p -72.91 169.06 17.66 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.396 1.098 . . . . 0.0 110.246 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -59.09 -19.17 41.94 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -104.93 -6.3 20.25 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.29 1.036 . . . . 0.0 111.742 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -113.92 -24.18 9.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.524 -178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' HD12 ' A' ' 6' ' ' ILE . . . -83.22 -18.59 38.71 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.77 -1.206 . . . . 0.0 109.752 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.8 m -90.15 -28.23 19.07 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.032 -1.043 . . . . 0.0 108.195 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.0 t -67.45 -26.13 66.24 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -84.64 -41.97 15.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.15 62.21 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.498 -0.763 . . . . 0.0 112.636 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -94.73 -30.0 14.5 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.718 1.145 . . . . 0.0 110.771 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.58 -37.33 73.93 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.785 1.175 . . . . 0.0 110.065 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -62.14 -31.87 72.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.752 1.221 . . . . 0.0 110.028 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.36 -27.08 60.51 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.635 -0.666 . . . . 0.0 110.522 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.15 -36.85 80.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.32 1.048 . . . . 0.0 113.193 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -68.63 -26.49 65.37 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.583 0.706 . . . . 0.0 109.931 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.6 mt -86.38 -15.13 41.37 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.548 1.139 . . . . 0.0 110.878 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -67.25 -36.18 81.09 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.315 1.046 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -75.33 -1.6 24.47 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.142 -0.974 . . . . 0.0 111.542 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -117.79 -37.04 3.51 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.468 1.507 . . . . 0.0 112.125 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -113.69 -16.76 12.26 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.626 1.17 . . . . 0.0 113.822 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.89 -165.77 32.13 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -54.72 152.59 6.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.666 1.222 . . . . 0.0 111.741 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -141.06 167.48 22.08 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.24 1.416 . . . . 0.0 109.769 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.6 p -129.45 161.16 31.02 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.815 1.246 . . . . 0.0 109.259 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -146.05 151.93 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-O 121.472 0.653 . . . . 0.0 109.623 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -126.2 118.7 25.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.8 t -98.53 120.17 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.39 -174.31 4.09 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 48.97 54.17 11.33 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.58 1.152 . . . . 0.0 109.346 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 54.84 9.54 0.3 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.698 1.999 . . . . 0.0 114.235 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.2 -10.04 28.99 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.289 1.423 . . . . 0.0 113.164 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -75.69 -14.47 60.35 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 118.56 1.18 . . . . 0.0 111.341 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.9 m -123.72 116.8 23.64 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.47 110.08 16.99 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -100.85 91.82 4.78 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mt -87.43 128.97 39.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -131.06 120.49 23.49 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -78.35 153.34 31.74 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.453 0.701 . . . . 0.0 109.674 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.88 -44.82 60.85 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.454 0.701 . . . . 0.0 110.864 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 C-N-CA 125.612 1.577 . . . . 0.0 111.594 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 mtp . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -127.52 145.71 50.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.176 0.991 . . . . 0.0 108.492 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -123.96 162.42 23.43 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.251 1.82 . . . . 0.0 107.308 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.7 m -140.06 162.7 24.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.344 1.058 . . . . 0.0 108.455 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -127.28 95.92 4.42 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.6 mt -93.36 131.56 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 126.846 2.058 . . . . 0.0 109.338 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -101.53 131.48 47.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.7 110.79 23.26 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 126.148 1.779 . . . . 0.0 106.743 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -98.54 124.2 43.16 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -127.17 135.21 50.37 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.38 1.072 . . . . 0.0 112.061 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.36 133.71 63.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 126.933 2.093 . . . . 0.0 108.81 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -113.0 143.22 44.68 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.78 -14.04 49.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.826 1.251 . . . . 0.0 110.903 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -67.0 -19.81 65.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.187 2.195 . . . . 0.0 111.636 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.57 -4.44 37.16 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.934 1.254 . . . . 0.0 112.528 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -99.14 157.16 16.55 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.436 1.095 . . . . 0.0 108.551 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -138.34 171.03 14.99 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.5 0.667 . . . . 0.0 109.309 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.32 166.12 34.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 121.218 -0.926 . . . . 0.0 109.471 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 m -146.45 142.79 28.48 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.14 163.98 32.02 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -148.28 143.08 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -126.51 148.95 49.63 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.717 1.607 . . . . 0.0 107.888 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.06 113.92 14.53 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.42 -161.42 28.09 Favored Glycine 0 C--O 1.24 0.521 0 CA-C-N 118.573 0.624 . . . . 0.0 111.594 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.2 p -67.16 162.81 21.6 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -64.05 -8.87 13.17 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.312 1.045 . . . . 0.0 112.215 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -115.26 -27.51 7.23 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.981 1.313 . . . . 0.0 111.65 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -81.63 -23.76 36.78 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 119.151 0.887 . . . . 0.0 109.846 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.87 -18.44 32.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.1 m -77.77 -41.73 36.49 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -69.44 -25.79 64.28 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 118.907 -1.117 . . . . 0.0 109.832 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.03 -46.04 31.34 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.59 -41.74 66.91 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.068 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -85.1 -31.2 23.47 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.079 0.854 . . . . 0.0 110.705 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.19 71.16 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.544 1.066 . . . . 0.0 111.181 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -68.55 -35.98 78.17 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.306 -0.871 . . . . 0.0 109.254 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -43.2 55.8 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -57.91 -37.08 73.4 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.486 1.114 . . . . 0.0 111.309 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -1.23 23.26 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.171 -0.956 . . . . 0.0 113.307 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.7 mt -126.86 -0.7 6.64 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.631 1.572 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -61.16 -53.06 61.74 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.9 1.68 . . . . 0.0 109.63 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -49.14 -45.83 44.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.477 1.511 . . . . 0.0 113.133 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.77 -17.6 60.61 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.136 1.374 . . . . 0.0 114.358 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -117.82 -57.88 2.07 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.78 -168.02 25.41 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 129.198 3.285 . . . . 0.0 106.94 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.71 170.3 2.05 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.707 0.765 . . . . 0.0 111.447 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -149.49 160.82 43.14 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.296 -0.877 . . . . 0.0 110.192 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.0 p -119.37 160.51 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.421 1.489 . . . . 0.0 108.131 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.2 t -139.75 131.65 33.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.15 123.29 49.26 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -80.16 131.74 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.938 1.295 . . . . 0.0 110.177 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.23 166.45 24.67 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 127.065 2.146 . . . . 0.0 110.105 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 46.21 50.72 11.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.857 2.463 . . . . 0.0 110.867 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 61.81 -6.23 0.13 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.927 2.091 . . . . 0.0 114.489 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.92 -10.75 3.93 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 126.74 2.114 . . . . 0.0 112.383 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -77.24 -7.9 56.7 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.8 m -132.46 95.05 3.54 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.1 mt -93.32 110.38 21.91 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -96.83 104.59 16.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mt -95.12 140.79 16.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -132.68 113.13 12.63 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.71 155.06 40.79 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.75 -40.6 20.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.11 0.964 . . . . 0.0 111.529 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 C-N-CA 124.604 1.097 . . . . 0.0 111.745 -179.621 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 mmt . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -138.8 156.39 47.38 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.134 1.774 . . . . 0.0 107.185 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.24 169.07 14.16 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.2 m -132.69 158.09 43.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 125.082 1.353 . . . . 0.0 108.727 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m -114.83 93.34 4.28 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.4 mt -91.07 131.85 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 121.292 -0.88 . . . . 0.0 108.81 -177.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -102.65 131.97 49.07 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.373 1.869 . . . . 0.0 110.345 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.82 118.56 29.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -99.36 114.41 27.29 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 103.479 -2.785 . . . . 0.0 103.479 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -103.95 134.56 47.04 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 124.206 0.941 . . . . 0.0 110.174 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.55 133.34 67.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 126.905 2.082 . . . . 0.0 106.988 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -118.47 143.4 46.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.016 1.326 . . . . 0.0 107.673 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.43 -12.9 59.6 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.427 0.632 . . . . 0.0 109.75 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.08 -0.29 7.41 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.069 2.147 . . . . 0.0 110.814 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.7 22.49 61.8 Favored Glycine 0 C--N 1.342 0.874 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -114.1 145.61 41.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.846 1.659 . . . . 0.0 108.257 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.4 p -141.68 138.8 32.71 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -147.32 143.11 27.81 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.669 -0.644 . . . . 0.0 110.388 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 p -89.05 152.09 21.87 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.65 140.67 20.24 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -140.2 140.4 35.85 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -131.02 138.59 49.71 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.726 1.61 . . . . 0.0 107.082 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -124.42 114.23 19.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.714 1.206 . . . . 0.0 108.469 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.83 -165.5 31.84 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 107.658 -2.177 . . . . 0.0 107.658 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.0 p -67.9 173.93 4.1 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.732 1.266 . . . . 0.0 109.363 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -57.69 -16.89 12.21 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.212 1.005 . . . . 0.0 111.091 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -111.44 -27.31 8.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 117.149 -1.405 . . . . 0.0 111.734 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.91 -23.84 33.36 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 120.259 1.39 . . . . 0.0 110.708 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.27 -15.39 55.64 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.345 -0.847 . . . . 0.0 109.109 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.7 m -88.08 -41.87 12.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.97 0.908 . . . . 0.0 108.74 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -69.11 -25.03 64.21 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.599 1.091 . . . . 0.0 112.241 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.79 -30.99 56.69 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.959 0.799 . . . . 0.0 109.116 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.0 82.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -72.41 -30.54 64.73 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.27 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.5 87.67 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.248 -0.907 . . . . 0.0 109.76 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -62.44 -33.78 75.49 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.711 -0.618 . . . . 0.0 109.399 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.21 -40.52 62.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.441 0.697 . . . . 0.0 110.121 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.28 -30.73 60.69 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.385 1.074 . . . . 0.0 112.737 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.69 5.79 23.33 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.3 -0.875 . . . . 0.0 111.747 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.5 mt -121.22 -30.21 4.36 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.625 1.97 . . . . 0.0 110.321 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -47.12 -49.22 22.45 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 130.616 3.566 . . . . 0.0 114.355 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.42 -39.24 93.97 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.986 0.812 . . . . 0.0 112.654 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -5.67 55.55 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -119.33 -59.05 1.87 Allowed 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 123.478 0.711 . . . . 0.0 110.169 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.63 -163.34 24.97 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 125.729 1.633 . . . . 0.0 109.235 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.54 158.6 9.54 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.812 0.845 . . . . 0.0 110.772 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -139.32 168.01 20.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.45 1.1 . . . . 0.0 111.815 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 p -130.56 151.65 50.8 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.551 1.54 . . . . 0.0 109.318 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.6 t -142.24 139.84 29.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 124.016 0.926 . . . . 0.0 108.662 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -134.25 111.74 10.5 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.73 134.2 27.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 123.935 0.894 . . . . 0.0 109.454 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.12 -174.93 4.24 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.664 1.586 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 52.01 45.43 28.32 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.033 1.333 . . . . 0.0 110.313 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.23 8.78 0.6 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.174 2.19 . . . . 0.0 112.984 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.93 -3.35 11.71 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 125.854 1.692 . . . . 0.0 112.693 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -89.67 -2.7 58.36 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.782 1.791 . . . . 0.0 112.866 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.7 m -137.14 137.15 38.91 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 119.374 0.988 . . . . 0.0 109.169 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.3 mt -126.37 114.07 17.73 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 125.862 1.665 . . . . 0.0 108.586 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -83.53 97.96 9.3 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 104.202 -2.518 . . . . 0.0 104.202 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mt -110.33 130.71 63.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 119.171 0.896 . . . . 0.0 112.29 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -134.79 142.1 46.6 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.019 0.928 . . . . 0.0 110.407 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -91.83 129.43 37.79 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 103.325 -2.843 . . . . 0.0 103.325 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.43 -24.99 61.67 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 CA-C-O 115.339 -2.923 . . . . 0.0 109.885 -179.425 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -68.33 138.7 55.64 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.56 171.41 14.14 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 125.699 1.6 . . . . 0.0 108.527 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -143.07 174.37 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 126.45 1.9 . . . . 0.0 109.312 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.7 m -127.82 125.89 40.65 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 104.335 -2.469 . . . . 0.0 104.335 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.27 121.29 64.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -94.53 131.07 40.64 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.611 1.164 . . . . 0.0 109.939 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.49 115.97 23.84 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.409 1.484 . . . . 0.0 110.086 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -86.5 134.29 33.68 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.5 mt -118.11 129.83 55.77 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.51 123.39 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 127.096 2.158 . . . . 0.0 107.937 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -123.87 139.5 53.91 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.66 -15.09 6.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.731 1.612 . . . . 0.0 113.086 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -67.1 -1.73 4.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.266 1.826 . . . . 0.0 111.149 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.91 67.06 1.43 Allowed Glycine 0 C--N 1.341 0.853 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 p -160.42 139.48 10.61 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 p -131.81 126.78 35.18 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.78 167.35 20.71 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 126.316 1.846 . . . . 0.0 111.688 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.8 p -137.24 136.27 37.95 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.728 1.611 . . . . 0.0 109.434 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.58 145.7 51.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.42 112.85 12.5 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 125.346 1.458 . . . . 0.0 107.179 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -107.72 143.63 35.96 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.381 1.472 . . . . 0.0 107.304 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.34 156.12 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.467 1.107 . . . . 0.0 108.766 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.94 -163.9 26.19 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 107.816 -2.114 . . . . 0.0 107.816 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.432 ' HG1' ' CD ' ' A' ' 28' ' ' GLU . 50.6 p -67.72 162.44 23.79 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 178.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -50.59 -44.55 56.9 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 120.906 -1.121 . . . . 0.0 112.512 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -73.05 -25.27 60.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.467 0.707 . . . . 0.0 112.553 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.432 ' CD ' ' HG1' ' A' ' 25' ' ' THR . 77.0 mt-10 -88.82 -23.84 22.73 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.186 0.903 . . . . 0.0 111.603 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.86 -17.47 35.53 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.81 -0.556 . . . . 0.0 110.281 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.2 m -89.84 -42.06 11.47 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.0 t -72.67 -25.33 61.22 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-O 118.086 -0.959 . . . . 0.0 111.348 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.32 -40.16 81.76 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 120.13 1.332 . . . . 0.0 108.809 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.92 81.83 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.006 0.922 . . . . 0.0 111.635 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -72.3 -30.24 64.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.806 0.73 . . . . 0.0 110.385 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.77 -35.62 64.99 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -66.39 -39.82 89.29 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 120.899 -1.126 . . . . 0.0 109.304 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.54 68.83 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.42 -0.8 . . . . 0.0 110.842 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -62.29 -37.75 86.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.845 0.858 . . . . 0.0 111.958 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -72.38 -16.45 61.86 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 120.956 -1.09 . . . . 0.0 111.677 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.9 mt -96.18 -7.61 35.3 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.643 0.777 . . . . 0.0 110.788 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.57 -47.48 72.65 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.032 1.333 . . . . 0.0 108.036 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.3 -22.02 65.7 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.673 1.589 . . . . 0.0 112.156 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -105.0 -18.23 14.23 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.294 1.038 . . . . 0.0 113.419 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -127.28 -44.97 1.55 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.105 1.32 . . . . 0.0 114.116 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.65 -174.29 23.1 Favored Glycine 0 C--N 1.333 0.384 0 CA-C-N 120.2 1.364 . . . . 0.0 112.27 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -62.38 159.3 15.63 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.811 0.815 . . . . 0.0 108.933 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -147.57 162.43 39.12 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.177 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.6 p -127.96 164.36 22.47 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.365 1.866 . . . . 0.0 107.28 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.4 p -145.27 131.58 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.869 0.843 . . . . 0.0 109.234 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -112.88 116.73 30.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.7 t -82.13 134.88 26.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.39 174.34 10.73 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.327 1.051 . . . . 0.0 109.68 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 36.12 67.93 0.27 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.667 2.787 . . . . 0.0 111.799 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 67.12 -27.33 0.13 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 129.527 3.131 . . . . 0.0 113.508 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 140.34 -3.25 2.4 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 128.958 3.17 . . . . 0.0 111.377 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -72.67 -16.18 61.69 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.148 1.779 . . . . 0.0 113.523 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -130.26 125.71 35.49 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.5 mt -113.63 131.51 56.1 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 124.528 1.131 . . . . 0.0 109.184 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -108.7 91.61 3.72 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.1 mt -90.82 140.17 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -134.64 123.19 23.37 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.17 0.988 . . . . 0.0 108.631 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -89.29 144.64 25.94 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.13 88.89 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.484 1.114 . . . . 0.0 111.247 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 117.385 -1.786 . . . . 0.0 111.71 179.328 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 m . . . . . 0 C--O 1.238 0.469 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.4 m -123.17 131.79 53.82 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.542 1.937 . . . . 0.0 106.001 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.6 mt -126.08 131.76 71.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 124.695 1.198 . . . . 0.0 108.281 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HE2' ' OE2' ' A' ' 21' ' ' GLU . 2.6 tppp? -92.48 120.53 33.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 126.12 1.768 . . . . 0.0 107.907 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.09 110.31 20.52 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -94.51 132.17 39.46 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mp -127.11 126.58 43.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 118.995 0.816 . . . . 0.0 110.662 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.86 131.69 66.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 125.443 1.497 . . . . 0.0 109.238 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -111.94 149.5 31.82 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.37 -12.92 61.42 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.071 0.462 . . . . 0.0 110.429 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -64.82 3.23 0.57 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.389 2.275 . . . . 0.0 112.788 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.33 36.02 46.18 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-N 120.35 1.432 . . . . 0.0 112.19 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 t -149.31 142.74 25.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.4 p -116.91 158.27 24.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.4 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -149.64 162.89 39.32 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.081 1.753 . . . . 0.0 106.907 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -146.19 151.78 38.17 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.59 148.47 44.19 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 105.707 -1.961 . . . . 0.0 105.707 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.438 ' OE2' ' HE2' ' A' ' 7' ' ' LYS . 91.8 mt-10 -133.42 114.06 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 -178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -107.4 149.11 28.26 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.286 1.034 . . . . 0.0 110.061 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -130.97 133.46 45.83 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 127.399 2.28 . . . . 0.0 107.087 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.56 -157.92 28.09 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -71.92 170.54 13.54 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.06 -17.26 56.87 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.357 1.063 . . . . 0.0 110.466 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -111.8 -27.21 8.58 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 118.848 0.749 . . . . 0.0 110.952 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.91 -21.77 43.54 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 118.888 0.767 . . . . 0.0 109.72 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.16 -8.4 39.53 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 120.874 -1.141 . . . . 0.0 110.02 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.2 m -102.13 -42.62 6.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.118 0.967 . . . . 0.0 110.888 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 t -75.58 -24.55 56.62 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 119.171 0.896 . . . . 0.0 110.807 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -73.22 -40.23 64.87 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.97 88.55 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.192 0.997 . . . . 0.0 110.454 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -72.21 -29.65 64.17 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.631 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -32.47 66.58 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -63.45 -38.43 91.11 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.0 66.54 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.501 -0.75 . . . . 0.0 109.913 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.04 -36.97 83.19 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.206 1.002 . . . . 0.0 110.197 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.46 11.11 7.42 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.133 0.973 . . . . 0.0 111.657 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.2 mt -120.76 -28.0 4.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.248 1.419 . . . . 0.0 109.557 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.46 -40.94 88.51 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.696 1.134 . . . . 0.0 110.113 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.94 -16.15 48.79 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.994 1.318 . . . . 0.0 112.285 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.25 7.34 11.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.195 1.798 . . . . 0.0 111.072 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -136.38 -83.93 0.37 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.104 0.962 . . . . 0.0 111.726 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.74 -175.39 43.9 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 127.666 2.555 . . . . 0.0 108.028 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -57.99 161.91 3.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 117.856 0.828 . . . . 0.0 110.704 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -142.92 165.38 27.52 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.002 0.906 . . . . 0.0 111.787 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.35 157.72 41.8 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.881 1.673 . . . . 0.0 108.652 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.0 p -140.87 136.6 34.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.504 0.669 . . . . 0.0 110.367 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.98 110.9 20.31 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 126.826 2.051 . . . . 0.0 107.338 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.3 132.76 31.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.18 176.19 9.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.125 1.37 . . . . 0.0 108.934 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 36.28 68.32 0.26 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 128.262 2.625 . . . . 0.0 111.993 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 50.86 24.64 1.85 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.969 2.108 . . . . 0.0 115.127 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.5 -15.8 61.54 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 118.72 -1.044 . . . . 0.0 112.118 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -73.74 -4.4 34.31 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.052 1.341 . . . . 0.0 112.833 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.1 m -132.75 121.92 23.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.5 mt -121.61 110.42 15.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -97.29 106.23 18.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 mt -103.67 130.87 53.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -132.96 120.86 21.97 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.613 1.165 . . . . 0.0 108.386 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.49 140.63 34.47 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.01 -48.72 28.19 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.394 1.078 . . . . 0.0 109.774 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.341 0 CA-C-O 115.698 -2.723 . . . . 0.0 112.274 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -132.39 103.82 6.39 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -107.59 128.41 62.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -100.92 131.61 46.72 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.973 1.309 . . . . 0.0 110.673 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.16 112.26 25.07 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.403 1.481 . . . . 0.0 107.11 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -86.6 120.67 28.17 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 101.377 -3.564 . . . . 0.0 101.377 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.6 mt -112.16 110.96 21.52 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.316 1.447 . . . . 0.0 110.47 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.28 136.8 58.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 O-C-N 121.101 -0.999 . . . . 0.0 108.876 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.428 ' HA ' ' HB2' ' A' ' 62' ' ' PHE . 20.6 m-85 -128.28 147.1 50.58 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HB3' ' HA3' ' A' ' 64' ' ' GLY . . . -75.98 -2.64 31.47 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.32 -12.8 15.17 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 126.675 1.99 . . . . 0.0 111.044 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.45 21.62 8.25 Favored Glycine 0 C--N 1.341 0.855 0 C-N-CA 126.153 1.835 . . . . 0.0 113.496 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -142.74 158.33 43.75 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.29 2.045 . . . . 0.0 114.77 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.8 p -122.59 143.88 49.46 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.941 2.096 . . . . 0.0 107.115 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -151.47 159.29 44.25 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.551 1.54 . . . . 0.0 107.608 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.9 m -147.06 144.72 29.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.34 155.21 48.77 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.812 1.245 . . . . 0.0 107.863 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -131.86 135.59 46.81 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -124.72 144.69 50.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.475 1.51 . . . . 0.0 108.206 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mp0 -127.84 155.13 44.61 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.617 1.167 . . . . 0.0 109.13 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.82 -160.34 27.03 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p -64.12 170.55 3.56 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -58.13 -43.92 87.52 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.772 -1.205 . . . . 0.0 111.585 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -77.78 -26.17 49.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.411 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -80.91 -24.13 38.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.011 1.278 . . . . 0.0 111.917 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.28 -7.27 58.63 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.133 -0.979 . . . . 0.0 109.351 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.3 m -108.23 -41.86 4.78 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.962 1.305 . . . . 0.0 111.709 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.6 t -73.79 -25.6 60.21 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.316 0.962 . . . . 0.0 111.456 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.06 -40.88 74.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.749 0.704 . . . . 0.0 109.783 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.05 -48.78 72.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 124.114 0.965 . . . . 0.0 110.578 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -70.47 -29.35 65.88 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 118.579 -1.249 . . . . 0.0 109.612 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.86 85.5 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.755 1.161 . . . . 0.0 108.838 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -66.97 -46.71 73.83 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.28 77.95 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.25 -0.906 . . . . 0.0 110.822 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -66.71 -28.4 68.41 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.168 1.387 . . . . 0.0 109.899 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -89.62 -1.16 57.94 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.743 1.156 . . . . 0.0 111.513 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.3 mt -104.23 -29.54 10.74 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.834 1.254 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -21.95 66.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.425 0.557 . . . . 0.0 110.419 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.18 -3.34 1.76 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 130.197 3.399 . . . . 0.0 112.558 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -148.4 -31.35 0.27 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.445 1.498 . . . . 0.0 112.047 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -82.14 -69.27 0.63 Allowed 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.34 -178.02 32.2 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 128.009 2.718 . . . . 0.0 107.069 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.16 162.03 20.68 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.346 1.07 . . . . 0.0 111.843 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -140.52 159.01 43.13 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.427 1.491 . . . . 0.0 111.59 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.9 p -116.38 161.66 18.72 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -141.62 153.15 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 O-C-N 121.41 -0.806 . . . . 0.0 109.906 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -133.32 119.0 19.17 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.196 1.398 . . . . 0.0 107.248 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.48 119.88 30.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.02 178.17 7.71 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.445 0.698 . . . . 0.0 109.71 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 48.02 53.19 11.95 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.917 1.687 . . . . 0.0 110.046 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 57.6 16.21 3.27 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.083 2.153 . . . . 0.0 113.835 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.81 -5.25 56.53 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.853 1.216 . . . . 0.0 111.536 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -77.69 -11.18 59.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.801 1.3 . . . . 0.0 111.335 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.3 m -133.94 122.47 23.15 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.195 0.998 . . . . 0.0 109.543 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.34 111.28 22.03 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -93.87 100.9 12.99 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.7 mt -99.0 134.83 36.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 124.655 1.182 . . . . 0.0 109.182 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -130.17 105.34 7.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.047 1.339 . . . . 0.0 110.255 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 12' ' ' PHE . 12.2 m-85 -77.19 117.97 19.24 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 178.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.64 -41.89 2.35 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.725 2.01 . . . . 0.0 114.614 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.468 ' HA3' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.246 0.883 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m -120.64 119.09 31.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 103.548 -2.76 . . . . 0.0 103.548 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -116.32 120.03 63.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -92.66 131.26 37.9 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.11 0.964 . . . . 0.0 109.916 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.61 122.3 42.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.871 1.668 . . . . 0.0 107.746 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -92.83 133.96 35.55 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -126.84 123.64 37.78 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.593 1.088 . . . . 0.0 112.188 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.39 132.24 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 127.247 2.219 . . . . 0.0 108.671 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -125.03 142.37 51.54 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.61 -11.07 21.98 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.6 1.16 . . . . 0.0 112.684 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -66.98 -7.22 20.77 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.842 0.857 . . . . 0.0 110.916 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.57 50.54 2.52 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 107.449 -2.26 . . . . 0.0 107.449 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 m -142.39 140.18 31.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.206 1.402 . . . . 0.0 111.339 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.3 p -135.36 127.35 29.63 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -139.88 166.75 23.8 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.145 2.178 . . . . 0.0 108.146 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.4 p -135.0 152.4 51.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.62 141.09 31.86 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -131.42 130.28 42.34 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -121.01 140.48 51.86 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -122.79 137.31 54.96 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.737 1.215 . . . . 0.0 108.175 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.05 -162.9 32.05 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 106.841 -2.503 . . . . 0.0 106.841 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 p -71.52 174.99 5.91 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 118.593 -1.243 . . . . 0.0 108.878 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -48.25 -49.35 33.67 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.703 0.801 . . . . 0.0 111.8 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -79.59 -26.93 41.15 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -78.55 -22.57 47.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.735 0.698 . . . . 0.0 110.489 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.27 -4.57 48.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.721 0.808 . . . . 0.0 110.367 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.4 m -107.97 -42.62 4.63 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.636 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -72.34 -24.71 61.33 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.404 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -67.49 -42.01 83.62 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.08 88.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.472 0.709 . . . . 0.0 111.113 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -73.07 -29.27 62.83 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.12 -40.15 53.48 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -58.36 -38.9 78.17 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.265 1.026 . . . . 0.0 108.804 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.65 63.36 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.722 -0.611 . . . . 0.0 112.028 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -68.99 -37.56 78.8 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.509 1.504 . . . . 0.0 108.403 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -11.93 61.24 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.493 1.117 . . . . 0.0 110.866 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -102.21 -26.03 13.48 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.87 1.268 . . . . 0.0 109.683 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.72 -44.6 93.12 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.466 1.506 . . . . 0.0 108.513 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.95 -11.16 25.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.554 1.542 . . . . 0.0 111.385 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -117.57 -9.6 10.77 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.211 1.404 . . . . 0.0 113.447 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -129.91 -71.95 0.59 Allowed 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.439 1.096 . . . . 0.0 112.781 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.83 -176.73 40.58 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 127.38 2.419 . . . . 0.0 108.581 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -61.88 163.86 7.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 122.146 0.974 . . . . 0.0 109.891 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -146.45 171.29 15.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.668 0.747 . . . . 0.0 111.868 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 p -130.45 168.71 16.57 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 127.173 2.189 . . . . 0.0 106.493 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.7 p -147.23 119.19 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 121.122 -0.986 . . . . 0.0 108.899 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.56 109.02 21.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.95 134.55 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.348 1.059 . . . . 0.0 109.91 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.85 171.36 14.16 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.598 1.159 . . . . 0.0 110.081 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 50.31 49.54 20.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 125.792 1.637 . . . . 0.0 108.567 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 62.03 -10.32 0.08 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 128.332 2.653 . . . . 0.0 113.987 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 143.0 -14.83 2.37 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.163 1.84 . . . . 0.0 112.401 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -69.09 -9.71 54.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.565 1.682 . . . . 0.0 113.876 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.5 m -133.25 113.87 13.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.2 mt -110.37 110.06 20.71 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -93.73 100.51 12.71 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.81 140.13 16.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -134.73 114.16 12.4 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 125.151 1.381 . . . . 0.0 108.042 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -90.63 144.94 25.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.934 1.243 . . . . 0.0 110.842 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.05 75.18 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.707 0.803 . . . . 0.0 109.989 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.918 0 C-N-CA 124.026 0.822 . . . . 0.0 111.187 179.65 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.28 137.44 51.78 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.8 mt -126.37 132.34 70.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 126.417 1.887 . . . . 0.0 106.738 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -110.67 109.43 19.69 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 120.983 -1.073 . . . . 0.0 108.994 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.04 109.1 21.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -90.68 133.96 34.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 103.733 -2.691 . . . . 0.0 103.733 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mp -123.85 134.32 53.61 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.157 0.89 . . . . 0.0 110.885 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -129.27 125.38 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 125.706 1.602 . . . . 0.0 108.21 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -110.23 143.22 40.71 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.95 -21.0 42.0 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -65.53 -12.59 54.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.837 1.255 . . . . 0.0 111.869 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.82 7.05 56.86 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 m -86.57 132.28 33.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.208 1.803 . . . . 0.0 106.526 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.6 p -132.25 150.57 52.13 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -144.0 153.31 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.53 0.732 . . . . 0.0 110.231 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 143.61 44.8 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 104.289 -2.486 . . . . 0.0 104.289 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.31 135.47 13.06 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -124.93 133.47 53.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -120.03 137.12 54.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -122.15 122.95 40.39 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.848 1.659 . . . . 0.0 107.035 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.66 -162.32 36.08 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 109.084 -1.607 . . . . 0.0 109.084 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.9 p -69.01 165.68 19.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -58.41 -35.75 72.53 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.259 -0.901 . . . . 0.0 110.114 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -83.42 -27.41 29.59 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 117.202 -1.38 . . . . 0.0 112.418 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -85.18 -23.84 28.17 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 120.842 1.655 . . . . 0.0 111.712 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.23 -4.19 54.74 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.499 -0.751 . . . . 0.0 109.364 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.4 m -108.17 -42.22 4.69 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.182 1.793 . . . . 0.0 109.861 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.2 p -72.36 -25.49 61.55 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 120.181 1.355 . . . . 0.0 111.137 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -74.16 -33.74 63.58 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.38 67.6 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.037 1.335 . . . . 0.0 111.264 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -71.38 -29.25 64.73 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.22 -48.15 71.52 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 120.933 -1.104 . . . . 0.0 109.105 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -57.95 -36.46 72.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.263 0.625 . . . . 0.0 109.519 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.16 61.73 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.223 -0.923 . . . . 0.0 111.847 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.03 -37.31 79.4 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.114 1.765 . . . . 0.0 112.339 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -73.01 -11.69 60.66 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.2 mt -101.86 -9.71 20.5 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.839 1.256 . . . . 0.0 110.901 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.09 -37.87 88.9 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.426 1.49 . . . . 0.0 109.611 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -73.0 -17.08 61.49 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.314 1.446 . . . . 0.0 111.996 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.22 -6.3 19.89 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.081 1.753 . . . . 0.0 111.638 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -138.69 -74.59 0.38 Allowed 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 120.747 -1.22 . . . . 0.0 109.748 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.15 -160.0 30.11 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -60.34 162.8 5.71 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.418 1.087 . . . . 0.0 110.654 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -157.96 169.58 24.26 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.401 1.08 . . . . 0.0 111.37 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.0 p -139.46 157.86 45.12 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.6 t -133.39 127.95 54.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 O-C-N 121.737 -0.602 . . . . 0.0 109.676 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -89.28 138.41 31.46 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 t -115.47 115.37 49.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.09 175.84 9.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.425 1.09 . . . . 0.0 108.974 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.19 39.36 28.88 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.061 0.945 . . . . 0.0 111.466 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 67.63 6.4 4.98 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.01 2.124 . . . . 0.0 110.831 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.19 -10.35 24.6 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.458 1.98 . . . . 0.0 110.976 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.47 -4.7 31.96 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.244 1.022 . . . . 0.0 111.69 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.1 m -131.76 101.33 5.42 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.09 110.66 22.99 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 103.743 -2.688 . . . . 0.0 103.743 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -99.21 97.31 8.41 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.3 mt -84.9 128.42 38.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.789 1.635 . . . . 0.0 108.73 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -134.03 121.74 22.0 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -78.97 144.64 34.57 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.0 82.02 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 126.143 1.777 . . . . 0.0 114.67 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.326 0 C-N-CA 124.601 1.096 . . . . 0.0 111.654 -179.416 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.5 m -116.48 115.08 25.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.7 mt -111.68 131.93 61.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 127.177 2.191 . . . . 0.0 107.536 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -114.44 131.37 56.63 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.649 1.18 . . . . 0.0 110.596 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.5 110.86 19.88 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -92.66 109.78 21.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 103.87 -2.641 . . . . 0.0 103.87 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.01 136.03 34.73 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 126.771 2.028 . . . . 0.0 109.202 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.3 mt -129.15 126.36 64.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 126.977 2.111 . . . . 0.0 106.741 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -119.22 138.76 52.75 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.77 -15.94 59.92 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.234 1.413 . . . . 0.0 109.789 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -60.59 -14.71 21.78 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 129.022 2.929 . . . . 0.0 112.332 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.22 35.2 4.26 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -152.74 175.51 12.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.227 -1.161 . . . . 0.0 111.463 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.3 p -142.63 161.18 38.75 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 128.434 2.694 . . . . 0.0 107.222 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -152.54 160.93 43.19 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.136 1.374 . . . . 0.0 107.697 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -130.22 145.79 51.77 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.46 147.38 43.18 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -139.88 137.85 35.2 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -128.99 134.38 48.14 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 125.574 1.55 . . . . 0.0 107.33 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -124.77 109.87 13.62 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.516 1.926 . . . . 0.0 106.451 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.54 -162.31 30.84 Favored Glycine 0 C--O 1.238 0.401 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.9 p -64.17 154.58 34.33 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 107.059 -1.459 . . . . 0.0 107.059 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -55.2 -34.03 63.56 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 120.826 -1.171 . . . . 0.0 111.241 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -80.75 -27.48 36.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.352 -0.832 . . . . 0.0 112.399 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -89.85 -24.26 21.45 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 119.128 0.876 . . . . 0.0 111.222 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.81 -12.51 59.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.366 -0.834 . . . . 0.0 109.043 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.3 m -103.27 -41.94 5.89 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.826 1.25 . . . . 0.0 108.624 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -68.34 -25.27 65.01 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 119.061 0.846 . . . . 0.0 110.94 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -85.86 -30.33 23.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.603 -0.686 . . . . 0.0 109.719 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.18 -46.72 82.75 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.299 1.04 . . . . 0.0 111.613 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -71.75 -30.62 65.79 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.132 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.67 74.0 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.171 0.51 . . . . 0.0 109.778 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -66.46 -33.85 76.61 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.409 -0.807 . . . . 0.0 109.187 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -44.78 46.46 Favored 'General case' 0 C--O 1.223 -0.332 0 O-C-N 121.377 -0.827 . . . . 0.0 109.084 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.92 -36.37 48.81 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 127.003 2.121 . . . . 0.0 115.238 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -65.25 -26.67 68.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.436 1.016 . . . . 0.0 111.025 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.05 -10.82 54.3 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 125.271 1.429 . . . . 0.0 110.657 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.95 -30.87 71.89 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.079 1.351 . . . . 0.0 111.066 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.33 -4.23 44.03 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.807 0.843 . . . . 0.0 111.83 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -123.32 -32.64 3.38 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.669 1.587 . . . . 0.0 113.064 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -114.59 -12.58 12.23 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.803 1.241 . . . . 0.0 112.937 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.72 -170.24 43.74 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 119.149 0.886 . . . . 0.0 111.303 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.68 159.76 8.22 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 122.805 1.288 . . . . 0.0 111.607 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -134.89 175.17 9.81 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 126.062 1.745 . . . . 0.0 109.661 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.0 p -130.12 148.71 51.99 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 128.018 2.527 . . . . 0.0 105.686 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -138.5 149.66 24.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -129.78 109.93 11.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.358 1.863 . . . . 0.0 106.772 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.51 101.8 8.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.65 179.36 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.152 1.381 . . . . 0.0 110.771 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t70 50.61 60.52 3.8 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.415 1.486 . . . . 0.0 111.219 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 57.46 3.55 0.18 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.973 2.109 . . . . 0.0 113.802 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.64 30.54 4.28 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.324 1.44 . . . . 0.0 110.637 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -125.68 5.61 7.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.806 1.303 . . . . 0.0 112.685 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.0 m -135.54 117.72 15.51 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.3 mt -117.43 110.54 18.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.7 114.45 26.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 102.376 -3.194 . . . . 0.0 102.376 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mt -112.26 127.9 69.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.681 1.592 . . . . 0.0 108.776 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -132.86 135.14 45.43 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.497 1.119 . . . . 0.0 109.308 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -98.53 146.44 25.78 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.134 1.374 . . . . 0.0 108.371 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.16 86.73 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 110.603 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.695 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.899 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.448 -0.574 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -130.39 122.58 28.09 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 103.464 -2.791 . . . . 0.0 103.464 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mt -118.8 131.45 71.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 131.12 38.34 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.12 110.6 17.26 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.87 0.868 . . . . 0.0 110.334 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -91.75 128.25 37.52 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mp -127.49 134.15 49.82 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.6 125.86 62.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 124.483 1.113 . . . . 0.0 109.46 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -99.87 143.54 29.97 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.06 -9.96 44.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.558 0.743 . . . . 0.0 109.943 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -64.73 -18.16 64.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 128.995 2.918 . . . . 0.0 112.918 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.35 31.85 6.98 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 109.864 -1.295 . . . . 0.0 109.864 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.2 m -139.89 130.9 26.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.557 1.543 . . . . 0.0 108.89 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.1 p -113.41 158.09 21.09 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -146.7 145.45 30.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.126 -0.984 . . . . 0.0 110.466 -178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.95 135.92 40.64 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 126.403 1.881 . . . . 0.0 106.885 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.87 157.56 43.31 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -154.87 151.66 28.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -136.27 145.22 45.34 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 125.19 1.396 . . . . 0.0 108.454 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.04 125.9 32.58 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.176 1.79 . . . . 0.0 109.377 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.1 -163.59 36.92 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 107.075 -2.41 . . . . 0.0 107.075 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 p -67.8 170.5 7.91 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.116 -1.226 . . . . 0.0 109.343 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.76 -30.58 61.5 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.176 0.99 . . . . 0.0 110.39 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -96.78 -25.73 15.39 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 117.687 -1.149 . . . . 0.0 112.88 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -79.32 -21.11 46.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.417 1.008 . . . . 0.0 110.719 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.72 1.0 40.01 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.917 0.887 . . . . 0.0 112.887 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.0 m -107.16 -42.41 4.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 120.053 1.297 . . . . 0.0 114.398 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.3 m -71.74 -24.21 61.74 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 121.473 1.942 . . . . 0.0 109.364 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.15 -39.52 89.88 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.38 89.6 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.932 -0.48 . . . . 0.0 110.088 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -72.52 -29.56 63.7 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.79 -36.15 75.47 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -64.27 -34.78 78.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.12 -41.72 57.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.588 0.755 . . . . 0.0 109.32 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.97 -36.16 74.38 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 126.38 1.872 . . . . 0.0 112.015 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.0 t -73.3 -6.16 44.27 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.567 -0.708 . . . . 0.0 110.557 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.9 mt -111.35 -10.77 14.21 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.477 1.911 . . . . 0.0 109.439 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.16 -16.56 63.66 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.371 1.868 . . . . 0.0 109.895 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.89 -2.64 56.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.704 2.001 . . . . 0.0 111.001 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -126.27 -29.32 3.01 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.565 1.146 . . . . 0.0 112.296 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -114.54 -34.28 5.28 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.184 0.993 . . . . 0.0 113.039 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.43 -158.15 16.02 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 119.637 1.108 . . . . 0.0 111.188 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -52.19 155.62 1.91 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.994 1.318 . . . . 0.0 113.151 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -145.99 168.41 20.95 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.847 1.659 . . . . 0.0 110.47 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -131.41 160.14 35.95 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.23 1.412 . . . . 0.0 109.149 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.3 p -147.7 143.28 19.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 O-C-N 121.729 -0.607 . . . . 0.0 111.547 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.53 109.19 12.92 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -83.43 112.94 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 105.2 -2.148 . . . . 0.0 105.2 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.3 -179.27 5.41 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.007 0.523 . . . . 0.0 110.282 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.49 59.69 4.4 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 126.166 1.786 . . . . 0.0 108.974 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 52.74 21.54 1.95 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.745 1.218 . . . . 0.0 113.185 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.7 -8.43 65.98 Favored Glycine 0 CA--C 1.532 1.145 0 O-C-N 120.932 -1.105 . . . . 0.0 113.029 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -80.35 -11.86 59.66 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.153 1.381 . . . . 0.0 114.235 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.7 m -130.23 101.22 5.69 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -93.59 116.08 28.58 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -101.55 100.28 10.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.6 mt -103.52 136.94 34.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 126.338 1.855 . . . . 0.0 108.958 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -134.83 140.95 46.24 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.814 1.646 . . . . 0.0 109.264 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -101.39 146.56 27.43 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.723 -1.236 . . . . 0.0 108.797 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.78 -34.3 39.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.398 0.618 . . . . 0.0 110.087 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.601 0 C-N-CA 126.698 2.094 . . . . 0.0 112.825 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 m . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 m -118.99 110.85 17.6 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 mt -110.48 121.62 63.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.796 1.639 . . . . 0.0 107.726 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -105.8 110.14 22.34 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.233 1.413 . . . . 0.0 110.03 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.62 129.47 34.84 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 120.792 -1.192 . . . . 0.0 109.688 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -86.42 128.98 35.01 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -126.42 122.11 34.37 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mt -129.11 148.39 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -127.46 140.93 51.83 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.71 -20.32 64.78 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.626 1.57 . . . . 0.0 110.873 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -63.94 -17.23 63.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.167 1.387 . . . . 0.0 110.732 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.16 48.36 1.73 Allowed Glycine 0 C--N 1.338 0.665 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 m -135.48 155.99 49.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.099 0.959 . . . . 0.0 110.208 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -137.95 137.82 38.34 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.642 1.177 . . . . 0.0 109.458 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -141.02 166.54 24.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 127.107 2.163 . . . . 0.0 109.231 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.3 m -142.78 134.83 27.17 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 105.01 -2.219 . . . . 0.0 105.01 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.69 135.48 53.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 103.855 -2.646 . . . . 0.0 103.855 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -120.32 136.83 54.56 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -123.28 152.78 41.03 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.638 1.575 . . . . 0.0 108.433 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.99 166.13 23.1 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 127.79 2.436 . . . . 0.0 105.595 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.87 -172.81 14.42 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.5 p -62.9 158.58 18.73 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.35 0.595 . . . . 0.0 109.625 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -50.15 -51.27 44.9 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.422 1.089 . . . . 0.0 111.698 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -70.79 -25.44 62.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -82.58 -23.4 34.45 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.538 1.063 . . . . 0.0 110.903 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.07 0.99 56.24 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.393 -0.817 . . . . 0.0 109.557 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.1 m -108.4 -42.3 4.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.652 1.181 . . . . 0.0 109.995 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 p -70.22 -24.94 63.18 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.173 0.897 . . . . 0.0 111.859 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -85.22 -36.89 20.68 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.49 85.18 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.963 -0.46 . . . . 0.0 109.779 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -73.06 -29.59 63.08 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.957 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.59 -36.93 73.82 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.526 1.057 . . . . 0.0 109.969 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -63.21 -32.12 73.44 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.303 -0.873 . . . . 0.0 109.334 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.5 -40.31 61.88 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.873 0.869 . . . . 0.0 109.54 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.58 -29.96 64.88 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -71.8 -30.12 65.18 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.239 1.381 . . . . 0.0 109.926 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.5 mt -79.89 -10.21 59.75 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.935 1.294 . . . . 0.0 112.302 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.21 -43.49 94.87 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.071 0.949 . . . . 0.0 108.851 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.59 -11.39 43.84 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.371 1.468 . . . . 0.0 112.734 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -113.71 -3.88 13.48 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 125.25 1.42 . . . . 0.0 112.966 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -139.12 -64.46 0.5 Allowed 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 119.376 0.989 . . . . 0.0 110.532 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.47 -161.88 28.73 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 107.022 -2.431 . . . . 0.0 107.022 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -61.68 160.6 11.32 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.331 0.586 . . . . 0.0 110.492 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 48.9 p-90 -143.44 167.35 22.39 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.959 1.304 . . . . 0.0 109.212 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 p -123.18 161.1 25.14 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.746 1.218 . . . . 0.0 108.916 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -146.33 146.47 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-O 121.466 0.651 . . . . 0.0 109.788 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -136.65 120.23 17.13 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.259 1.423 . . . . 0.0 107.813 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.2 t -80.73 122.94 36.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.95 -175.9 4.69 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.862 0.865 . . . . 0.0 109.236 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 t70 52.97 48.48 22.33 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.55 1.54 . . . . 0.0 111.071 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 63.03 9.41 3.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.322 1.449 . . . . 0.0 112.218 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.48 0.13 53.33 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 126.112 1.815 . . . . 0.0 111.242 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.97 -22.21 29.25 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 119.435 1.617 . . . . 0.0 111.526 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 m -131.23 103.1 6.28 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.551 0.691 . . . . 0.0 111.065 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.03 131.16 36.79 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 128.678 2.791 . . . . 0.0 106.442 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.46 92.43 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.479 1.512 . . . . 0.0 108.583 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.1 mt -93.34 133.45 34.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -133.95 141.36 47.27 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.636 0.774 . . . . 0.0 109.443 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -97.31 165.38 12.05 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.213 0.205 . . . . 0.0 110.837 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.0 -16.25 7.09 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 117.573 -1.682 . . . . 0.0 109.785 -178.857 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.239 0.502 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -122.78 95.3 4.57 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.9 mt -91.54 132.36 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 128.165 2.586 . . . . 0.0 108.303 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -102.0 119.32 38.61 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.922 2.089 . . . . 0.0 113.488 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.19 110.23 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -89.89 115.79 27.47 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.7 mt -111.61 134.83 52.92 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.978 1.311 . . . . 0.0 109.591 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.66 108.87 14.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 C-N-CA 129.549 3.14 . . . . 0.0 107.981 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -92.61 149.92 21.04 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.53 -12.56 53.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.177 0.591 . . . . 0.0 109.877 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -69.98 -6.52 33.84 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.314 1.845 . . . . 0.0 110.162 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.03 51.62 5.29 Favored Glycine 0 C--N 1.337 0.587 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -156.44 132.66 9.91 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.124 1.77 . . . . 0.0 106.792 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.5 p -110.76 153.32 25.5 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -141.62 143.0 33.43 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.876 0.87 . . . . 0.0 109.428 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.53 147.62 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.49 146.98 24.03 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.87 149.77 51.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -127.07 134.19 50.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -111.81 109.7 19.66 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 126.358 1.863 . . . . 0.0 107.308 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.19 -172.25 44.74 Favored Glycine 0 C--N 1.332 0.31 0 O-C-N 121.584 -0.697 . . . . 0.0 111.455 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -64.18 171.58 2.93 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 122.003 0.906 . . . . 0.0 109.387 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -68.36 -7.08 28.11 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.319 -0.863 . . . . 0.0 111.793 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -116.31 -25.82 7.39 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.051 -1.031 . . . . 0.0 111.955 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -82.53 -9.62 59.33 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.91 1.232 . . . . 0.0 111.643 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.32 -17.22 11.36 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.5 m -80.41 -43.48 20.93 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.575 1.534 . . . . 0.0 110.886 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 m -72.86 -23.22 60.72 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 121.032 -1.042 . . . . 0.0 108.921 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.04 -45.95 69.14 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.76 96.17 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.496 0.589 . . . . 0.0 109.692 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -72.42 -29.97 64.19 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 122.169 -0.332 . . . . 0.0 110.525 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.82 64.92 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 120.666 -1.271 . . . . 0.0 108.163 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.11 -32.8 73.42 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.89 49.96 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.555 0.742 . . . . 0.0 109.262 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.13 -36.79 71.11 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.712 1.605 . . . . 0.0 111.499 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -74.61 -10.33 59.44 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.969 0.804 . . . . 0.0 111.447 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.0 mt -101.09 -23.41 14.49 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.027 1.331 . . . . 0.0 109.778 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.98 -35.19 76.15 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 127.412 2.285 . . . . 0.0 110.713 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.12 -14.04 43.73 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.114 0.966 . . . . 0.0 112.699 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.87 -1.7 8.85 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.293 1.437 . . . . 0.0 112.243 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -135.62 -14.49 1.91 Allowed 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.07 -173.77 41.52 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -56.28 160.62 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 126.472 1.909 . . . . 0.0 112.841 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -144.61 -179.42 6.55 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.571 1.548 . . . . 0.0 111.407 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.7 p -138.9 151.83 47.26 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.114 1.765 . . . . 0.0 107.993 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 p -141.17 128.16 21.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 119.304 0.957 . . . . 0.0 109.254 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -104.42 114.79 29.25 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 104.335 -2.468 . . . . 0.0 104.335 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.87 115.49 30.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.44 -175.84 4.07 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.214 1.006 . . . . 0.0 110.498 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 56.57 41.35 28.69 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 67.37 4.46 3.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.027 2.131 . . . . 0.0 111.829 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.87 3.71 19.69 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 126.63 2.062 . . . . 0.0 111.473 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -86.83 -2.18 58.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.706 1.253 . . . . 0.0 112.111 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.6 m -132.49 130.53 40.59 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.7 mt -124.6 109.87 13.73 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -104.34 95.13 5.73 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.6 mt -92.7 135.75 26.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 125.187 1.395 . . . . 0.0 110.767 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -134.94 123.09 22.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.246 1.018 . . . . 0.0 109.658 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -87.31 152.22 22.46 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.23 -40.09 62.65 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.211 0.605 . . . . 0.0 110.164 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.814 0 CA-C-O 118.078 -1.401 . . . . 0.0 111.164 179.578 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.236 0.356 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.2 m -129.13 108.15 10.14 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.0 mt -108.91 132.08 57.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 126.843 2.057 . . . . 0.0 108.941 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -105.1 131.56 52.44 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 123.891 0.876 . . . . 0.0 109.562 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.5 110.66 20.18 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -97.04 129.02 44.54 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 101.713 -3.439 . . . . 0.0 101.713 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mp -118.79 135.68 54.39 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.687 1.195 . . . . 0.0 110.338 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.03 129.72 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.866 1.666 . . . . 0.0 106.708 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -114.2 149.05 36.36 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.264 1.026 . . . . 0.0 110.711 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.63 -13.74 62.34 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -59.08 -19.07 40.95 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.955 2.502 . . . . 0.0 110.853 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.92 45.87 3.26 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.264 -1.535 . . . . 0.0 109.264 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 p -165.19 167.41 18.11 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.671 -0.9 . . . . 0.0 110.435 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.2 p -126.42 167.27 15.79 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.685 1.594 . . . . 0.0 108.74 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -148.69 166.24 28.95 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 126.663 1.985 . . . . 0.0 108.972 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -147.01 148.05 31.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.13 140.32 27.92 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -120.41 119.78 34.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -112.05 146.66 37.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -132.19 149.61 52.35 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 125.231 1.413 . . . . 0.0 108.018 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.9 -154.22 22.1 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.8 p -74.21 163.81 27.38 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.838 0.828 . . . . 0.0 109.787 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.9 -13.17 5.59 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.125 2.17 . . . . 0.0 113.648 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -115.65 -26.0 7.63 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 118.094 -0.955 . . . . 0.0 111.735 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -81.67 -24.43 36.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.139 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.38 -18.39 36.29 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 120.729 -1.232 . . . . 0.0 110.34 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.6 m -88.1 -38.78 15.11 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 m -68.55 -25.54 64.97 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.776 -0.631 . . . . 0.0 109.848 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.72 -35.85 60.14 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.69 98.42 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.092 0.86 . . . . 0.0 109.596 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -72.53 -29.36 63.52 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.126 0.57 . . . . 0.0 111.383 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.65 -43.73 53.9 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.566 0.746 . . . . 0.0 109.153 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -61.85 -39.48 92.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.767 1.227 . . . . 0.0 108.755 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.08 -18.7 60.78 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.859 -0.525 . . . . 0.0 111.502 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.56 -37.23 82.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.289 0.949 . . . . 0.0 110.685 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.21 1.44 11.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.095 0.958 . . . . 0.0 110.329 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -116.4 -27.49 6.77 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 126.284 1.833 . . . . 0.0 108.055 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.31 -48.97 75.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.384 1.447 . . . . 0.0 108.821 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.97 -9.66 55.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.897 0.879 . . . . 0.0 112.88 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -115.46 -14.62 11.55 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.245 -0.909 . . . . 0.0 113.327 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -121.35 -48.41 2.2 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.867 1.267 . . . . 0.0 111.663 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.11 -166.94 24.27 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.09 165.53 3.33 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 122.319 1.057 . . . . 0.0 110.622 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -143.29 169.18 18.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 122.285 1.041 . . . . 0.0 112.086 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.7 p -128.11 144.91 51.14 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.66 147.82 33.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 122.326 1.06 . . . . 0.0 109.197 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.44 138.1 47.5 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.975 2.51 . . . . 0.0 105.389 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.6 p -116.48 128.42 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.48 -177.16 5.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.42 1.088 . . . . 0.0 110.625 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 55.16 41.75 31.26 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.079 1.351 . . . . 0.0 110.872 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 66.39 10.7 7.47 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.976 2.11 . . . . 0.0 111.788 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.19 -7.36 30.76 Favored Glycine 0 CA--C 1.523 0.594 0 C-N-CA 125.279 1.419 . . . . 0.0 111.484 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -77.9 -7.77 57.18 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.493 1.146 . . . . 0.0 111.674 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.2 m -132.95 136.14 45.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 119.343 0.974 . . . . 0.0 108.647 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.3 mt -125.95 131.83 52.2 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 126.086 1.754 . . . . 0.0 107.07 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -112.7 116.15 29.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.2 mt -111.68 128.86 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.543 -2.392 . . . . 0.0 104.543 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -133.25 107.97 8.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -68.82 141.61 55.09 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.52 81.06 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.828 0.851 . . . . 0.0 112.52 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.349 0 C-N-CA 125.97 1.748 . . . . 0.0 109.432 -179.283 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.4 m -125.55 141.21 52.16 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.007 1.323 . . . . 0.0 111.018 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.7 mt -126.69 119.94 54.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.979 2.112 . . . . 0.0 108.664 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -100.57 109.44 21.53 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 123.779 0.831 . . . . 0.0 109.351 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.97 113.78 23.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -97.96 128.81 44.76 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 102.288 -3.227 . . . . 0.0 102.288 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -127.22 135.55 50.79 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.382 0.673 . . . . 0.0 110.66 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.5 mt -121.21 124.7 72.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 125.788 1.635 . . . . 0.0 106.955 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -101.18 151.11 22.24 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -16.01 61.66 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.674 0.749 . . . . 0.0 109.931 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -66.49 -3.75 6.89 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.414 2.286 . . . . 0.0 111.211 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.78 31.74 55.34 Favored Glycine 0 C--N 1.338 0.644 0 O-C-N 120.678 -1.264 . . . . 0.0 111.554 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.6 156.81 47.14 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.1 p -123.23 177.95 5.34 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -156.03 163.05 40.17 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 m -144.97 144.24 30.94 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.99 113.14 7.53 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -96.8 110.76 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -107.8 148.16 29.89 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 126.366 1.866 . . . . 0.0 109.582 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -132.38 161.19 34.23 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.835 1.254 . . . . 0.0 108.323 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.05 -150.75 20.05 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 106.67 -2.572 . . . . 0.0 106.67 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 p -73.21 167.4 21.25 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -62.15 -45.68 92.34 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.99 -1.068 . . . . 0.0 108.594 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -72.1 -26.15 62.03 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.352 1.461 . . . . 0.0 113.119 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -87.98 -23.15 23.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 118.994 0.815 . . . . 0.0 112.112 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.35 -17.54 24.54 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.336 0.517 . . . . 0.0 109.822 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.6 m -75.26 -42.1 55.85 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.24 -24.04 62.11 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.415 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -65.77 -46.39 78.95 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.35 83.86 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.396 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -73.06 -29.07 62.7 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.541 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.57 -46.01 60.62 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -59.77 -32.5 70.64 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.692 1.197 . . . . 0.0 109.225 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.88 -49.37 20.63 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.746 1.218 . . . . 0.0 109.665 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.41 -37.42 70.15 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.922 1.689 . . . . 0.0 113.567 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 t -71.22 -25.66 62.6 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.274 0.943 . . . . 0.0 110.533 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -86.16 -16.32 38.23 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.558 1.143 . . . . 0.0 111.471 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.03 -30.01 71.11 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.225 1.41 . . . . 0.0 110.237 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.61 -10.5 59.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.009 1.324 . . . . 0.0 111.689 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -115.96 -53.74 2.54 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 125.027 1.331 . . . . 0.0 113.397 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -79.36 -63.32 1.44 Allowed 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.236 -0.29 . . . . 0.0 110.721 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.43 -163.69 28.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.589 -1.804 . . . . 0.0 108.589 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.96 166.64 1.91 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.005 0.922 . . . . 0.0 112.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -156.27 167.9 28.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.617 1.167 . . . . 0.0 111.082 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.2 p -130.73 162.22 29.96 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.613 1.565 . . . . 0.0 107.088 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 p -143.37 137.04 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -120.31 114.51 21.97 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.0 t -80.31 114.84 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 125.0 1.32 . . . . 0.0 109.92 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.422 ' HB3' HD21 ' A' ' 59' ' ' ASN . . . -128.33 176.16 7.91 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.06 1.344 . . . . 0.0 110.046 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 48.51 59.85 4.06 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 126.795 2.038 . . . . 0.0 110.392 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 63.4 -15.55 0.07 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.905 2.482 . . . . 0.0 113.982 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.33 0.04 3.44 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 127.254 2.359 . . . . 0.0 111.654 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -82.62 -18.33 41.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.171 1.486 . . . . 0.0 112.142 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.3 m -124.05 101.23 7.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 119.907 1.23 . . . . 0.0 110.762 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.3 mt -93.03 110.29 21.76 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 102.195 -3.261 . . . . 0.0 102.195 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.422 HD21 ' HB3' ' A' ' 52' ' ' ALA . 30.1 m-80 -92.9 92.91 8.11 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.1 mt -86.94 132.86 31.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 124.406 1.082 . . . . 0.0 108.112 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.49 109.48 9.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -70.43 147.0 49.97 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 121.886 -0.509 . . . . 0.0 110.366 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.01 -40.29 8.93 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.593 1.957 . . . . 0.0 106.987 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.1 m . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -123.2 125.88 45.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.126 -2.176 . . . . 0.0 105.126 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.5 mt -126.14 120.97 58.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -109.14 131.86 54.67 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 124.006 0.923 . . . . 0.0 110.864 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.11 110.48 22.76 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 126.634 1.974 . . . . 0.0 109.494 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -90.08 109.75 20.79 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 102.456 -3.164 . . . . 0.0 102.456 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -109.26 131.57 54.94 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.865 0.866 . . . . 0.0 112.746 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.2 122.64 54.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 128.745 2.818 . . . . 0.0 107.908 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -97.86 151.13 20.55 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.7 -10.2 50.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.68 0.392 . . . . 0.0 110.122 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -74.64 -10.24 59.35 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.978 1.311 . . . . 0.0 112.11 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.0 32.34 14.75 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 108.217 -1.953 . . . . 0.0 108.217 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.6 m -130.94 140.13 50.14 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 127.672 2.389 . . . . 0.0 107.134 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.1 p -122.92 169.34 11.24 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -150.36 148.99 29.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.813 0.845 . . . . 0.0 109.365 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -112.55 110.17 20.18 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.467 1.907 . . . . 0.0 106.221 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.18 143.36 46.41 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.67 158.42 44.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.42 -0.8 . . . . 0.0 110.027 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -137.73 153.4 49.76 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.823 1.249 . . . . 0.0 109.743 -178.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -132.13 140.32 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.493 1.517 . . . . 0.0 107.443 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.1 -162.92 31.2 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.5 p -68.43 173.79 4.64 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 122.206 1.003 . . . . 0.0 108.731 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -68.33 -3.89 12.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.386 -1.446 . . . . 0.0 110.906 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -115.8 -4.29 12.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.811 1.644 . . . . 0.0 112.897 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -111.39 7.45 20.9 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.194 1.361 . . . . 0.0 113.722 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.33 -17.86 4.61 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.5 m -91.2 -42.55 10.36 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.88 1.673 . . . . 0.0 110.472 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -23.67 62.55 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -67.59 -49.51 62.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.41 94.11 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 118.902 -0.571 . . . . 0.0 110.864 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -72.36 -31.14 65.35 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.356 -0.83 . . . . 0.0 110.561 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.02 -44.25 55.12 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 120.0 1.273 . . . . 0.0 109.22 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -56.12 -43.39 78.1 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 124.934 1.293 . . . . 0.0 107.798 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.9 61.62 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 118.52 -0.752 . . . . 0.0 112.097 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.69 -34.72 77.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.541 1.064 . . . . 0.0 108.761 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -13.03 59.14 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.411 0.684 . . . . 0.0 110.292 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.2 mt -107.68 -9.47 15.83 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.357 1.863 . . . . 0.0 110.166 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.18 -42.9 99.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.99 -44.62 97.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.318 1.847 . . . . 0.0 110.544 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -77.49 -9.56 58.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.989 0.915 . . . . 0.0 112.803 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -133.35 -63.26 0.76 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.94 -178.69 31.49 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 128.207 2.813 . . . . 0.0 107.861 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -61.55 151.53 32.86 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 117.904 0.852 . . . . 0.0 110.425 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -124.67 171.57 9.96 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.886 1.274 . . . . 0.0 113.651 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 p -134.03 160.44 37.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.907 1.683 . . . . 0.0 108.168 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.3 145.97 18.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 O-C-N 121.432 -0.793 . . . . 0.0 109.612 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -118.6 108.73 15.31 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 105.31 -2.108 . . . . 0.0 105.31 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.7 t -81.0 114.54 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.82 -178.62 5.89 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.577 0.751 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.42 58.86 5.06 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 126.681 1.993 . . . . 0.0 111.177 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 59.77 17.1 6.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.888 2.075 . . . . 0.0 111.762 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.41 -4.88 67.25 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.682 2.087 . . . . 0.0 112.151 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -81.83 -12.67 58.4 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.8 m -120.4 102.91 8.79 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.0 mt -93.02 110.04 21.51 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 103.17 -2.9 . . . . 0.0 103.17 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -92.67 99.36 12.07 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.8 mt -98.04 134.63 35.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 123.372 0.669 . . . . 0.0 109.43 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -132.51 124.47 28.56 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.629 1.171 . . . . 0.0 108.323 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -89.96 163.41 14.96 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -118.88 -53.19 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.684 1.594 . . . . 0.0 110.534 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -178.715 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.233 0.221 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m -128.44 94.8 3.97 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.7 mt -93.33 131.06 41.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -104.33 124.71 49.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.39 110.45 22.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -86.84 135.1 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mp -125.56 135.24 52.02 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.099 0.959 . . . . 0.0 111.297 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mp -129.73 119.66 48.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 126.795 2.038 . . . . 0.0 106.712 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -102.18 148.05 25.89 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.6 -12.84 61.33 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.645 0.259 . . . . 0.0 110.62 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -75.45 25.59 0.1 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.425 2.29 . . . . 0.0 109.437 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.97 32.73 35.13 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 120.466 -1.396 . . . . 0.0 111.913 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -118.93 126.8 52.62 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.119 1.367 . . . . 0.0 110.511 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 p -110.35 138.01 47.31 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 126.261 1.824 . . . . 0.0 108.624 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -153.25 166.17 33.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.978 1.311 . . . . 0.0 109.058 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -146.68 152.26 38.57 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 120.269 -1.52 . . . . 0.0 107.769 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.73 147.13 51.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.309 -1.738 . . . . 0.0 106.309 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -132.09 136.77 47.4 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -125.63 163.61 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.834 1.254 . . . . 0.0 109.727 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -132.53 156.6 46.52 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 125.237 1.415 . . . . 0.0 107.808 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.0 -166.39 22.08 Favored Glycine 0 C--O 1.237 0.343 0 N-CA-C 108.704 -1.758 . . . . 0.0 108.704 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.7 p -68.59 161.42 28.05 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -51.87 -49.76 62.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.646 0.778 . . . . 0.0 112.769 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.14 -25.69 62.68 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 117.994 -1.003 . . . . 0.0 112.687 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -84.69 -23.11 29.54 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 120.485 1.493 . . . . 0.0 110.217 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.11 -18.38 55.75 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.012 -1.106 . . . . 0.0 108.012 177.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.9 m -86.6 -41.48 14.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.1 p -68.74 -25.4 64.72 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 119.418 1.008 . . . . 0.0 110.561 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -78.18 -48.48 15.77 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.451 1.1 . . . . 0.0 108.321 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.9 92.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.332 0.653 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -73.58 -30.94 63.32 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 118.976 -0.535 . . . . 0.0 110.717 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.6 -28.99 62.12 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.287 0.949 . . . . 0.0 108.841 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -68.87 -27.59 65.94 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.714 -1.241 . . . . 0.0 110.151 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.02 -28.38 61.41 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.992 -1.068 . . . . 0.0 108.822 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.95 -36.81 84.68 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.25 1.42 . . . . 0.0 111.204 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -79.33 8.76 5.54 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.146 -0.971 . . . . 0.0 111.296 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.8 mt -129.19 -18.24 3.71 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.277 1.431 . . . . 0.0 110.768 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -67.64 -53.79 25.03 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 126.491 1.916 . . . . 0.0 110.232 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -63.88 -14.85 56.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.562 0.745 . . . . 0.0 111.9 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -91.79 -49.64 6.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.823 1.249 . . . . 0.0 109.379 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -97.65 -76.32 0.52 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.695 1.198 . . . . 0.0 113.669 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.51 -176.1 47.89 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 126.611 2.053 . . . . 0.0 108.574 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -61.8 169.46 2.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 122.085 0.945 . . . . 0.0 111.425 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -145.54 166.43 25.72 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.74 0.816 . . . . 0.0 110.179 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.6 p -130.7 158.83 39.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 p -138.43 116.45 12.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.07 108.47 19.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.7 t -80.93 131.47 33.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 124.574 1.15 . . . . 0.0 108.41 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.96 172.89 12.06 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.585 1.154 . . . . 0.0 109.94 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 48.2 50.03 16.82 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 126.016 1.726 . . . . 0.0 109.806 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 59.2 9.6 1.4 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.881 2.073 . . . . 0.0 113.527 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.92 -8.23 16.62 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 126.367 1.937 . . . . 0.0 113.319 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -74.62 -5.97 45.98 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.121 1.461 . . . . 0.0 111.625 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.5 m -129.39 120.32 25.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 127.761 2.424 . . . . 0.0 105.956 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -125.98 110.0 13.09 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -100.43 94.59 6.24 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.668 0.787 . . . . 0.0 109.43 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -85.59 137.41 20.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 124.363 1.065 . . . . 0.0 109.286 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -134.96 120.5 19.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.421 1.088 . . . . 0.0 108.264 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -81.57 156.87 24.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.121 0.873 . . . . 0.0 109.249 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.15 -23.75 35.4 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 -179.291 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.4 m -124.29 132.11 53.55 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.6 mt -123.92 130.99 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -110.26 124.52 51.77 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.25 116.5 32.08 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -90.97 125.51 35.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -119.18 134.45 55.2 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.053 0.842 . . . . 0.0 109.276 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.06 117.55 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 125.217 1.407 . . . . 0.0 108.924 -178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -88.85 139.41 30.49 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.51 -12.86 48.75 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.706 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -62.62 -21.61 65.79 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.196 2.198 . . . . 0.0 111.046 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.62 19.19 9.42 Favored Glycine 0 C--N 1.34 0.762 0 CA-C-N 118.696 0.68 . . . . 0.0 112.469 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 p -133.71 141.91 47.75 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.389 1.076 . . . . 0.0 108.899 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -112.46 164.95 12.68 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -143.34 166.19 25.44 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.235 1.414 . . . . 0.0 109.188 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 p -126.89 152.36 47.19 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.756 1.222 . . . . 0.0 108.49 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.43 149.12 20.34 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -146.34 152.62 39.41 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.75 142.92 36.76 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -131.87 128.57 38.92 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.831 1.652 . . . . 0.0 108.23 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.54 -156.56 27.55 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.3 p -69.59 163.22 25.98 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 121.231 0.539 . . . . 0.0 109.626 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -50.55 -52.04 42.45 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.638 1.175 . . . . 0.0 113.344 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.36 -26.68 52.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.592 0.633 . . . . 0.0 111.331 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -72.25 -23.81 61.27 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 118.703 0.683 . . . . 0.0 112.087 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.32 -17.59 23.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.4 m -81.16 -42.52 20.73 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.281 -0.887 . . . . 0.0 109.408 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -67.89 -25.37 65.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.099 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -79.11 -43.55 23.85 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.93 -25.26 60.67 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.155 -0.926 . . . . 0.0 113.123 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -101.87 -30.8 11.05 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.402 1.001 . . . . 0.0 109.805 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.39 73.44 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.53 1.059 . . . . 0.0 109.847 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -62.76 -38.39 90.41 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.116 0.966 . . . . 0.0 109.012 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -44.02 54.45 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.971 0.908 . . . . 0.0 108.937 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -55.01 -36.71 65.74 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.753 1.621 . . . . 0.0 111.72 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -12.71 60.94 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.347 -0.846 . . . . 0.0 111.796 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.5 mt -113.27 -11.47 13.21 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.064 1.746 . . . . 0.0 110.287 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.37 -36.82 85.39 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 126.894 2.078 . . . . 0.0 108.956 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.31 -21.8 64.75 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.555 -0.715 . . . . 0.0 110.033 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.15 -1.19 23.98 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.498 1.519 . . . . 0.0 114.614 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -145.52 -8.84 0.57 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 117.541 -1.219 . . . . 0.0 114.127 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.08 -167.19 39.52 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 120.934 1.697 . . . . 0.0 111.021 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -55.25 157.31 3.65 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.014 1.726 . . . . 0.0 112.714 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -150.33 167.0 28.32 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 125.713 1.605 . . . . 0.0 107.94 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.27 158.36 39.98 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 124.379 1.072 . . . . 0.0 108.371 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.44 141.69 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -118.24 129.74 55.65 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.8 t -95.09 128.89 45.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 123.853 0.861 . . . . 0.0 110.562 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.43 172.68 12.37 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.035 1.334 . . . . 0.0 108.616 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 51.19 44.53 28.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.529 1.532 . . . . 0.0 111.631 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 58.84 15.66 3.99 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.447 1.899 . . . . 0.0 112.379 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.44 -10.37 28.46 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-O 118.364 -1.242 . . . . 0.0 113.017 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -74.68 -15.78 60.79 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 120.082 1.941 . . . . 0.0 111.527 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.5 m -122.6 120.4 33.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.2 mt -120.25 110.25 16.36 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -95.99 101.77 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.3 mt -100.04 139.91 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 125.007 1.323 . . . . 0.0 107.865 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.21 125.29 27.49 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -84.79 149.81 25.48 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.71 -29.43 19.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 C-N-CA 126.685 2.088 . . . . 0.0 110.089 -179.067 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.441 -0.911 0 N-CA-C 102.715 -3.068 . . . . 0.0 102.715 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 m -100.32 98.02 8.72 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mt -98.24 111.45 27.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -92.7 131.08 38.09 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.221 1.408 . . . . 0.0 108.492 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.41 115.94 28.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.972 1.709 . . . . 0.0 108.334 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.35 133.92 35.03 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 mt -124.75 129.53 50.66 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -127.89 112.64 28.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -92.34 148.84 21.81 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.57 -20.89 66.12 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -76.81 -7.58 55.71 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.316 -0.85 . . . . 0.0 112.479 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.66 72.79 1.28 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -160.58 122.25 3.09 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.409 1.884 . . . . 0.0 106.913 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.9 p -114.44 140.79 48.41 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.381 0.537 . . . . 0.0 110.487 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -142.99 166.83 23.56 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.324 1.849 . . . . 0.0 110.798 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -136.83 135.45 37.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.453 1.901 . . . . 0.0 106.255 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.97 150.2 52.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -144.18 132.37 21.8 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -115.59 156.71 25.3 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.048 1.339 . . . . 0.0 109.766 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -132.39 139.26 48.01 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.23 -156.74 27.32 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 107.465 -2.254 . . . . 0.0 107.465 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.498 ' H ' ' HB3' ' A' ' 28' ' ' GLU . 28.0 p -89.31 176.09 7.08 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.848 1.259 . . . . 0.0 109.122 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -63.72 -17.38 62.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.227 0.611 . . . . 0.0 110.623 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -105.09 -16.12 14.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.999 1.32 . . . . 0.0 111.654 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HB3' ' H ' ' A' ' 25' ' ' THR . 26.7 tt0 -104.1 -20.9 13.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 117.343 -1.313 . . . . 0.0 113.456 -177.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.17 -13.22 19.85 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.59 1.541 . . . . 0.0 114.49 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -92.74 -43.01 9.27 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.228 1.377 . . . . 0.0 113.847 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -23.89 61.86 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.86 -37.62 88.24 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.57 -37.29 62.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.373 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -72.22 -31.05 65.5 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.273 0.942 . . . . 0.0 108.717 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.88 -28.91 62.78 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -72.44 -33.03 66.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.58 -30.28 61.65 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.871 -1.143 . . . . 0.0 110.055 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -58.63 -36.84 74.72 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.869 0.868 . . . . 0.0 111.992 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 t -71.31 -18.55 62.4 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.838 -1.164 . . . . 0.0 110.495 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.3 mt -96.44 -28.92 14.21 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 124.811 1.244 . . . . 0.0 110.68 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.41 -41.03 96.5 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.18 1.392 . . . . 0.0 109.899 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.52 2.27 1.36 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.219 1.807 . . . . 0.0 113.162 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -140.19 -30.56 0.67 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 120.939 -1.1 . . . . 0.0 113.275 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -95.74 -55.04 3.14 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.018 0.927 . . . . 0.0 111.695 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.18 -177.81 26.19 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.22 165.94 12.9 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -146.08 159.74 42.86 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.087 -1.008 . . . . 0.0 111.666 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.0 p -115.2 162.13 17.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.8 p -146.11 135.0 16.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.856 0.836 . . . . 0.0 109.186 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -111.29 109.02 18.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.8 t -87.42 123.93 40.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 125.508 1.523 . . . . 0.0 108.163 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.29 -175.78 4.67 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 124.876 1.27 . . . . 0.0 110.028 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t0 52.79 53.89 11.42 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.703 1.601 . . . . 0.0 110.729 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 58.77 16.97 4.81 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.251 1.02 . . . . 0.0 111.356 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.63 -1.97 64.33 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.516 1.531 . . . . 0.0 112.299 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -78.05 -5.43 51.4 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.4 1.6 . . . . 0.0 112.282 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.6 m -128.63 122.87 31.85 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -117.48 111.2 18.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -102.31 104.71 15.25 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.4 mt -97.5 141.38 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 124.656 1.182 . . . . 0.0 108.262 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -134.14 113.89 12.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -75.36 133.27 41.26 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.83 80.05 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.312 1.045 . . . . 0.0 109.758 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.863 -2.076 . . . . 0.0 109.767 179.809 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -114.45 102.67 10.3 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -103.75 127.24 58.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -98.51 131.74 44.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.5 1.52 . . . . 0.0 112.204 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.28 110.94 20.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.353 1.461 . . . . 0.0 108.223 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -92.66 132.17 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mp -127.92 135.96 50.7 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.737 0.815 . . . . 0.0 109.639 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -127.07 125.9 67.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.6 141.65 32.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.18 1.392 . . . . 0.0 107.426 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.58 65.9 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.87 0.868 . . . . 0.0 110.136 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -60.03 -23.01 63.36 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.647 1.179 . . . . 0.0 111.36 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.03 47.33 1.26 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -158.45 157.49 32.32 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 125.023 1.329 . . . . 0.0 107.441 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p -130.08 173.26 10.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.946 0.898 . . . . 0.0 109.922 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -140.7 153.76 46.07 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 121.37 -0.831 . . . . 0.0 109.481 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -119.64 129.41 54.58 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.48 141.93 26.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -142.07 138.61 31.87 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -127.25 148.5 50.21 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.048 1.739 . . . . 0.0 108.993 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -122.94 149.41 44.3 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.638 1.175 . . . . 0.0 108.379 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.62 -161.08 28.35 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 p -70.04 165.88 20.93 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -61.42 -20.46 63.1 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.901 -1.124 . . . . 0.0 110.905 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -94.34 -11.84 29.2 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.861 1.664 . . . . 0.0 112.379 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -113.74 -23.32 9.75 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.81 -8.98 59.74 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.296 -1.502 . . . . 0.0 110.804 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -103.13 -41.55 6.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.596 1.559 . . . . 0.0 109.746 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -68.34 -25.0 64.88 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.398 0.999 . . . . 0.0 110.909 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.71 -37.98 82.99 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.68 -43.42 89.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.889 -0.507 . . . . 0.0 110.176 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -72.38 -29.9 64.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.854 0.752 . . . . 0.0 109.804 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.57 68.42 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -76.0 -31.86 59.14 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.086 -1.008 . . . . 0.0 109.359 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.21 62.42 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.736 -1.228 . . . . 0.0 109.892 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.51 -38.33 74.27 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.554 1.541 . . . . 0.0 113.01 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -69.14 -23.81 64.02 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.433 0.56 . . . . 0.0 109.89 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.92 -6.36 39.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.648 1.579 . . . . 0.0 112.129 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -69.62 -53.44 18.74 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.222 1.009 . . . . 0.0 108.439 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.01 -21.43 66.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.501 1.12 . . . . 0.0 112.044 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -87.55 -21.87 25.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.388 1.075 . . . . 0.0 112.578 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -131.85 -70.89 0.56 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 119.157 0.889 . . . . 0.0 113.144 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.57 -176.05 46.21 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.74 163.07 7.77 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.658 0.783 . . . . 0.0 111.2 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -150.33 170.08 19.87 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.471 -0.768 . . . . 0.0 112.311 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.6 p -135.47 163.39 30.16 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.224 1.81 . . . . 0.0 108.082 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 p -145.04 146.24 20.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 O-C-N 121.441 -0.787 . . . . 0.0 110.842 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -126.67 114.42 18.0 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.485 1.914 . . . . 0.0 108.83 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -81.04 133.79 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 124.751 1.221 . . . . 0.0 109.763 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.38 178.95 7.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.188 1.395 . . . . 0.0 110.184 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.7 t0 47.09 63.03 2.1 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 127.15 2.18 . . . . 0.0 112.965 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 57.24 6.01 0.32 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.133 1.373 . . . . 0.0 113.15 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.32 0.17 33.11 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.506 1.527 . . . . 0.0 111.145 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -81.44 -7.89 59.65 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.923 1.862 . . . . 0.0 112.063 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -127.69 132.97 49.59 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.541 1.136 . . . . 0.0 108.843 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -126.09 110.42 13.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 178.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -98.82 95.07 6.95 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mt -90.18 140.38 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 126.026 1.731 . . . . 0.0 108.391 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -134.31 124.58 26.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.208 1.803 . . . . 0.0 109.729 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -86.01 141.7 29.29 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.992 1.269 . . . . 0.0 108.676 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.41 -46.46 69.9 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.552 0 C-N-CA 124.645 1.117 . . . . 0.0 111.874 179.242 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.743 0.306 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -132.92 124.09 27.19 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 105.007 -2.219 . . . . 0.0 105.007 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.9 mt -126.06 118.51 51.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -92.8 109.36 20.79 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 121.246 -0.909 . . . . 0.0 108.723 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.55 117.39 24.42 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -96.99 131.65 43.59 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp -127.28 135.17 50.21 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.201 1.4 . . . . 0.0 110.374 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.3 mt -121.72 116.19 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 125.592 1.557 . . . . 0.0 108.015 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -100.77 145.32 28.66 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.95 -12.09 60.05 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -64.29 -4.72 4.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.71 2.004 . . . . 0.0 111.005 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.24 36.23 10.09 Favored Glycine 0 C--N 1.338 0.676 0 CA-C-N 119.004 0.82 . . . . 0.0 111.553 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -152.06 146.48 25.57 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 118.002 0.901 . . . . 0.0 109.529 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -112.64 140.25 47.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.481 1.513 . . . . 0.0 107.328 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -129.74 155.9 45.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -142.9 144.38 32.41 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.91 156.14 49.49 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -129.01 111.47 13.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.75 152.24 21.47 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.004 1.322 . . . . 0.0 109.391 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -132.97 166.52 22.18 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.732 1.613 . . . . 0.0 109.404 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.69 -162.13 20.88 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 107.771 -2.131 . . . . 0.0 107.771 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 p -75.35 168.06 20.71 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.516 1.658 . . . . 0.0 107.833 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -46.86 -50.24 18.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.128 1.371 . . . . 0.0 114.177 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -76.17 -26.99 56.77 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 117.899 -1.048 . . . . 0.0 113.54 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -86.41 -23.56 26.05 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.606 1.093 . . . . 0.0 110.965 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.3 -17.41 49.38 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -92.02 -40.48 11.07 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.692 1.197 . . . . 0.0 108.369 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -67.73 -25.38 65.62 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.293 -0.88 . . . . 0.0 112.197 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -74.75 -27.85 60.52 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.842 -0.536 . . . . 0.0 109.604 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.2 72.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -71.46 -31.4 67.12 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.54 81.23 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 120.114 1.325 . . . . 0.0 111.176 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -71.79 -39.55 69.84 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 121.308 -0.87 . . . . 0.0 111.055 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.73 -32.47 62.14 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.247 0.93 . . . . 0.0 110.492 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -59.58 -29.26 67.84 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 127.892 2.477 . . . . 0.0 113.036 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 t -92.15 0.55 57.46 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.651 0.78 . . . . 0.0 111.152 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -116.42 2.5 13.16 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.218 1.407 . . . . 0.0 112.746 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -68.58 -41.48 79.6 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.982 0.81 . . . . 0.0 109.51 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 18.9 mp0 -68.95 -21.88 64.16 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.099 -1.0 . . . . 0.0 110.465 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -86.32 -11.31 52.49 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 126.227 1.811 . . . . 0.0 110.845 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -140.8 -89.19 0.16 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.284 1.034 . . . . 0.0 108.388 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.02 -172.54 45.38 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 107.628 -2.189 . . . . 0.0 107.628 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.63 162.16 13.53 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.756 0.789 . . . . 0.0 110.814 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -141.11 170.12 16.32 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.883 1.273 . . . . 0.0 111.046 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 p -125.75 155.02 41.65 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 127.787 2.435 . . . . 0.0 106.452 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.83 135.23 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.807 0.813 . . . . 0.0 110.854 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.45 117.54 25.38 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.8 t -92.51 131.71 38.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 C-N-CA 124.879 1.272 . . . . 0.0 108.08 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.98 178.64 7.38 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 125.632 1.573 . . . . 0.0 110.096 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t70 51.89 53.73 12.1 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.488 1.515 . . . . 0.0 111.357 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 63.89 -7.26 0.21 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.047 1.739 . . . . 0.0 113.451 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.09 -5.64 6.04 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 126.955 2.216 . . . . 0.0 111.445 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -80.57 -8.78 59.72 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.839 1.255 . . . . 0.0 113.497 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -124.54 124.74 42.92 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.8 mt -126.02 118.87 26.24 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 126.401 1.88 . . . . 0.0 106.179 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -106.48 103.85 13.41 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.2 mt -99.0 111.24 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -112.62 117.97 33.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -82.21 129.14 34.76 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.32 -18.41 65.16 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.8 -2.111 . . . . 0.0 110.175 -179.025 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.408 0.623 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 m -90.6 124.56 35.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 29' ' ' ALA . 39.2 mt -126.43 103.7 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -93.24 110.37 21.89 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.43 135.07 34.35 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.184 0.994 . . . . 0.0 110.152 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -102.68 125.92 49.59 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 11' ' ' ILE . 5.0 mp -127.27 124.63 39.27 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.603 HG13 HG22 ' A' ' 17' ' ' THR . 1.5 mp -119.59 121.55 66.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 125.64 1.576 . . . . 0.0 108.383 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -97.69 137.52 36.47 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.73 -14.47 52.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.109 1.364 . . . . 0.0 111.67 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -62.06 -19.14 62.6 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 127.488 2.315 . . . . 0.0 111.519 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.51 47.35 1.06 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -147.67 159.27 43.98 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.773 -1.428 . . . . 0.0 110.236 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.603 HG22 HG13 ' A' ' 11' ' ' ILE . 23.4 p -138.14 137.45 37.68 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.348 1.459 . . . . 0.0 107.506 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -134.92 166.29 23.36 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.277 1.031 . . . . 0.0 109.638 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.6 125.24 19.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.98 157.91 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.76 145.83 30.08 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.442 -0.786 . . . . 0.0 109.334 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -122.85 153.86 39.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 124.966 1.306 . . . . 0.0 110.151 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -133.04 109.51 9.58 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 126.139 1.776 . . . . 0.0 106.27 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.14 -173.6 44.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.6 p -72.91 169.06 17.66 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.396 1.098 . . . . 0.0 110.246 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -59.09 -19.17 41.94 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -104.93 -6.3 20.25 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.29 1.036 . . . . 0.0 111.742 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -113.92 -24.18 9.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.524 -178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' HD12 ' A' ' 6' ' ' ILE . . . -83.22 -18.59 38.71 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.77 -1.206 . . . . 0.0 109.752 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.8 m -90.15 -28.23 19.07 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.032 -1.043 . . . . 0.0 108.195 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.0 t -67.45 -26.13 66.24 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -84.64 -41.97 15.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.15 62.21 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.498 -0.763 . . . . 0.0 112.636 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -94.73 -30.0 14.5 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.718 1.145 . . . . 0.0 110.771 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.58 -37.33 73.93 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.785 1.175 . . . . 0.0 110.065 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -62.14 -31.87 72.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.752 1.221 . . . . 0.0 110.028 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.36 -27.08 60.51 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.635 -0.666 . . . . 0.0 110.522 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.15 -36.85 80.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.32 1.048 . . . . 0.0 113.193 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -68.63 -26.49 65.37 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.583 0.706 . . . . 0.0 109.931 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.6 mt -86.38 -15.13 41.37 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.548 1.139 . . . . 0.0 110.878 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -67.25 -36.18 81.09 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.315 1.046 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -75.33 -1.6 24.47 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.142 -0.974 . . . . 0.0 111.542 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -117.79 -37.04 3.51 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.468 1.507 . . . . 0.0 112.125 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -113.69 -16.76 12.26 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.626 1.17 . . . . 0.0 113.822 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.89 -165.77 32.13 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -54.72 152.59 6.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.666 1.222 . . . . 0.0 111.741 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -141.06 167.48 22.08 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.24 1.416 . . . . 0.0 109.769 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.6 p -129.45 161.16 31.02 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.815 1.246 . . . . 0.0 109.259 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -146.05 151.93 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-O 121.472 0.653 . . . . 0.0 109.623 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -126.2 118.7 25.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.8 t -98.53 120.17 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.39 -174.31 4.09 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 48.97 54.17 11.33 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.58 1.152 . . . . 0.0 109.346 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 54.84 9.54 0.3 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.698 1.999 . . . . 0.0 114.235 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.2 -10.04 28.99 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.289 1.423 . . . . 0.0 113.164 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -75.69 -14.47 60.35 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 118.56 1.18 . . . . 0.0 111.341 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.9 m -123.72 116.8 23.64 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.47 110.08 16.99 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -100.85 91.82 4.78 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mt -87.43 128.97 39.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -131.06 120.49 23.49 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -78.35 153.34 31.74 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.453 0.701 . . . . 0.0 109.674 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.88 -44.82 60.85 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.454 0.701 . . . . 0.0 110.864 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 C-N-CA 125.612 1.577 . . . . 0.0 111.594 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.235 0.342 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -127.28 95.92 4.42 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.6 mt -93.36 131.56 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 126.846 2.058 . . . . 0.0 109.338 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -101.53 131.48 47.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.7 110.79 23.26 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 126.148 1.779 . . . . 0.0 106.743 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -98.54 124.2 43.16 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -127.17 135.21 50.37 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.38 1.072 . . . . 0.0 112.061 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.36 133.71 63.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 126.933 2.093 . . . . 0.0 108.81 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -113.0 143.22 44.68 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.78 -14.04 49.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.826 1.251 . . . . 0.0 110.903 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -67.0 -19.81 65.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.187 2.195 . . . . 0.0 111.636 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.57 -4.44 37.16 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.934 1.254 . . . . 0.0 112.528 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -99.14 157.16 16.55 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.436 1.095 . . . . 0.0 108.551 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -138.34 171.03 14.99 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.5 0.667 . . . . 0.0 109.309 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.32 166.12 34.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 121.218 -0.926 . . . . 0.0 109.471 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 m -146.45 142.79 28.48 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.14 163.98 32.02 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -148.28 143.08 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -126.51 148.95 49.63 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.717 1.607 . . . . 0.0 107.888 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.06 113.92 14.53 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.42 -161.42 28.09 Favored Glycine 0 C--O 1.24 0.521 0 CA-C-N 118.573 0.624 . . . . 0.0 111.594 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.2 p -67.16 162.81 21.6 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -64.05 -8.87 13.17 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.312 1.045 . . . . 0.0 112.215 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -115.26 -27.51 7.23 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.981 1.313 . . . . 0.0 111.65 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -81.63 -23.76 36.78 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 119.151 0.887 . . . . 0.0 109.846 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.87 -18.44 32.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.1 m -77.77 -41.73 36.49 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -69.44 -25.79 64.28 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 118.907 -1.117 . . . . 0.0 109.832 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.03 -46.04 31.34 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.59 -41.74 66.91 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.068 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -85.1 -31.2 23.47 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.079 0.854 . . . . 0.0 110.705 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.19 71.16 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.544 1.066 . . . . 0.0 111.181 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -68.55 -35.98 78.17 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.306 -0.871 . . . . 0.0 109.254 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -43.2 55.8 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -57.91 -37.08 73.4 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.486 1.114 . . . . 0.0 111.309 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -1.23 23.26 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.171 -0.956 . . . . 0.0 113.307 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.7 mt -126.86 -0.7 6.64 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.631 1.572 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -61.16 -53.06 61.74 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.9 1.68 . . . . 0.0 109.63 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -49.14 -45.83 44.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.477 1.511 . . . . 0.0 113.133 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.77 -17.6 60.61 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.136 1.374 . . . . 0.0 114.358 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -117.82 -57.88 2.07 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.78 -168.02 25.41 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 129.198 3.285 . . . . 0.0 106.94 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.71 170.3 2.05 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.707 0.765 . . . . 0.0 111.447 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -149.49 160.82 43.14 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.296 -0.877 . . . . 0.0 110.192 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.0 p -119.37 160.51 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.421 1.489 . . . . 0.0 108.131 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.2 t -139.75 131.65 33.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.15 123.29 49.26 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -80.16 131.74 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.938 1.295 . . . . 0.0 110.177 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.23 166.45 24.67 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 127.065 2.146 . . . . 0.0 110.105 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 46.21 50.72 11.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.857 2.463 . . . . 0.0 110.867 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 61.81 -6.23 0.13 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.927 2.091 . . . . 0.0 114.489 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.92 -10.75 3.93 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 126.74 2.114 . . . . 0.0 112.383 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -77.24 -7.9 56.7 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.8 m -132.46 95.05 3.54 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.1 mt -93.32 110.38 21.91 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -96.83 104.59 16.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mt -95.12 140.79 16.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -132.68 113.13 12.63 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.71 155.06 40.79 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.75 -40.6 20.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.11 0.964 . . . . 0.0 111.529 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 C-N-CA 124.604 1.097 . . . . 0.0 111.745 -179.621 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 C--O 1.232 0.143 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m -114.83 93.34 4.28 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.4 mt -91.07 131.85 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 121.292 -0.88 . . . . 0.0 108.81 -177.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -102.65 131.97 49.07 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.373 1.869 . . . . 0.0 110.345 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.82 118.56 29.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -99.36 114.41 27.29 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 103.479 -2.785 . . . . 0.0 103.479 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -103.95 134.56 47.04 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 124.206 0.941 . . . . 0.0 110.174 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.55 133.34 67.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 126.905 2.082 . . . . 0.0 106.988 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -118.47 143.4 46.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.016 1.326 . . . . 0.0 107.673 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.43 -12.9 59.6 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.427 0.632 . . . . 0.0 109.75 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.08 -0.29 7.41 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.069 2.147 . . . . 0.0 110.814 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.7 22.49 61.8 Favored Glycine 0 C--N 1.342 0.874 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -114.1 145.61 41.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.846 1.659 . . . . 0.0 108.257 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.4 p -141.68 138.8 32.71 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -147.32 143.11 27.81 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.669 -0.644 . . . . 0.0 110.388 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 p -89.05 152.09 21.87 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.65 140.67 20.24 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -140.2 140.4 35.85 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -131.02 138.59 49.71 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.726 1.61 . . . . 0.0 107.082 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -124.42 114.23 19.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.714 1.206 . . . . 0.0 108.469 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.83 -165.5 31.84 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 107.658 -2.177 . . . . 0.0 107.658 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.0 p -67.9 173.93 4.1 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.732 1.266 . . . . 0.0 109.363 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -57.69 -16.89 12.21 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.212 1.005 . . . . 0.0 111.091 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -111.44 -27.31 8.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 117.149 -1.405 . . . . 0.0 111.734 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.91 -23.84 33.36 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 120.259 1.39 . . . . 0.0 110.708 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.27 -15.39 55.64 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.345 -0.847 . . . . 0.0 109.109 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.7 m -88.08 -41.87 12.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.97 0.908 . . . . 0.0 108.74 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -69.11 -25.03 64.21 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.599 1.091 . . . . 0.0 112.241 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.79 -30.99 56.69 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.959 0.799 . . . . 0.0 109.116 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.0 82.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -72.41 -30.54 64.73 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.27 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.5 87.67 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.248 -0.907 . . . . 0.0 109.76 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -62.44 -33.78 75.49 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.711 -0.618 . . . . 0.0 109.399 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.21 -40.52 62.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.441 0.697 . . . . 0.0 110.121 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.28 -30.73 60.69 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.385 1.074 . . . . 0.0 112.737 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.69 5.79 23.33 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.3 -0.875 . . . . 0.0 111.747 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.5 mt -121.22 -30.21 4.36 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.625 1.97 . . . . 0.0 110.321 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -47.12 -49.22 22.45 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 130.616 3.566 . . . . 0.0 114.355 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.42 -39.24 93.97 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.986 0.812 . . . . 0.0 112.654 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -5.67 55.55 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -119.33 -59.05 1.87 Allowed 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 123.478 0.711 . . . . 0.0 110.169 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.63 -163.34 24.97 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 125.729 1.633 . . . . 0.0 109.235 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.54 158.6 9.54 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.812 0.845 . . . . 0.0 110.772 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -139.32 168.01 20.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.45 1.1 . . . . 0.0 111.815 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 p -130.56 151.65 50.8 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.551 1.54 . . . . 0.0 109.318 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.6 t -142.24 139.84 29.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 124.016 0.926 . . . . 0.0 108.662 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -134.25 111.74 10.5 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.73 134.2 27.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 123.935 0.894 . . . . 0.0 109.454 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.12 -174.93 4.24 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.664 1.586 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 52.01 45.43 28.32 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.033 1.333 . . . . 0.0 110.313 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.23 8.78 0.6 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.174 2.19 . . . . 0.0 112.984 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.93 -3.35 11.71 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 125.854 1.692 . . . . 0.0 112.693 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -89.67 -2.7 58.36 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.782 1.791 . . . . 0.0 112.866 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.7 m -137.14 137.15 38.91 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 119.374 0.988 . . . . 0.0 109.169 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.3 mt -126.37 114.07 17.73 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 125.862 1.665 . . . . 0.0 108.586 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -83.53 97.96 9.3 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 104.202 -2.518 . . . . 0.0 104.202 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mt -110.33 130.71 63.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 119.171 0.896 . . . . 0.0 112.29 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -134.79 142.1 46.6 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.019 0.928 . . . . 0.0 110.407 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -91.83 129.43 37.79 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 103.325 -2.843 . . . . 0.0 103.325 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.43 -24.99 61.67 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 CA-C-O 115.339 -2.923 . . . . 0.0 109.885 -179.425 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.7 m -127.82 125.89 40.65 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 104.335 -2.469 . . . . 0.0 104.335 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.27 121.29 64.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -94.53 131.07 40.64 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.611 1.164 . . . . 0.0 109.939 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.49 115.97 23.84 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.409 1.484 . . . . 0.0 110.086 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -86.5 134.29 33.68 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.5 mt -118.11 129.83 55.77 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.51 123.39 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 127.096 2.158 . . . . 0.0 107.937 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -123.87 139.5 53.91 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.66 -15.09 6.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.731 1.612 . . . . 0.0 113.086 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -67.1 -1.73 4.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.266 1.826 . . . . 0.0 111.149 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.91 67.06 1.43 Allowed Glycine 0 C--N 1.341 0.853 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 p -160.42 139.48 10.61 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 p -131.81 126.78 35.18 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.78 167.35 20.71 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 126.316 1.846 . . . . 0.0 111.688 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.8 p -137.24 136.27 37.95 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.728 1.611 . . . . 0.0 109.434 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.58 145.7 51.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.42 112.85 12.5 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 125.346 1.458 . . . . 0.0 107.179 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -107.72 143.63 35.96 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.381 1.472 . . . . 0.0 107.304 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.34 156.12 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.467 1.107 . . . . 0.0 108.766 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.94 -163.9 26.19 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 107.816 -2.114 . . . . 0.0 107.816 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.432 ' HG1' ' CD ' ' A' ' 28' ' ' GLU . 50.6 p -67.72 162.44 23.79 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 178.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -50.59 -44.55 56.9 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 120.906 -1.121 . . . . 0.0 112.512 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -73.05 -25.27 60.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.467 0.707 . . . . 0.0 112.553 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.432 ' CD ' ' HG1' ' A' ' 25' ' ' THR . 77.0 mt-10 -88.82 -23.84 22.73 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.186 0.903 . . . . 0.0 111.603 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.86 -17.47 35.53 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.81 -0.556 . . . . 0.0 110.281 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.2 m -89.84 -42.06 11.47 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.0 t -72.67 -25.33 61.22 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-O 118.086 -0.959 . . . . 0.0 111.348 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.32 -40.16 81.76 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 120.13 1.332 . . . . 0.0 108.809 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.92 81.83 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.006 0.922 . . . . 0.0 111.635 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -72.3 -30.24 64.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.806 0.73 . . . . 0.0 110.385 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.77 -35.62 64.99 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -66.39 -39.82 89.29 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 120.899 -1.126 . . . . 0.0 109.304 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.54 68.83 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.42 -0.8 . . . . 0.0 110.842 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -62.29 -37.75 86.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.845 0.858 . . . . 0.0 111.958 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -72.38 -16.45 61.86 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 120.956 -1.09 . . . . 0.0 111.677 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.9 mt -96.18 -7.61 35.3 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.643 0.777 . . . . 0.0 110.788 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.57 -47.48 72.65 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.032 1.333 . . . . 0.0 108.036 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.3 -22.02 65.7 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.673 1.589 . . . . 0.0 112.156 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -105.0 -18.23 14.23 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.294 1.038 . . . . 0.0 113.419 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -127.28 -44.97 1.55 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.105 1.32 . . . . 0.0 114.116 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.65 -174.29 23.1 Favored Glycine 0 C--N 1.333 0.384 0 CA-C-N 120.2 1.364 . . . . 0.0 112.27 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -62.38 159.3 15.63 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.811 0.815 . . . . 0.0 108.933 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -147.57 162.43 39.12 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.177 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.6 p -127.96 164.36 22.47 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.365 1.866 . . . . 0.0 107.28 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.4 p -145.27 131.58 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.869 0.843 . . . . 0.0 109.234 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -112.88 116.73 30.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.7 t -82.13 134.88 26.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.39 174.34 10.73 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.327 1.051 . . . . 0.0 109.68 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 36.12 67.93 0.27 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.667 2.787 . . . . 0.0 111.799 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 67.12 -27.33 0.13 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 129.527 3.131 . . . . 0.0 113.508 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 140.34 -3.25 2.4 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 128.958 3.17 . . . . 0.0 111.377 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -72.67 -16.18 61.69 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.148 1.779 . . . . 0.0 113.523 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -130.26 125.71 35.49 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.5 mt -113.63 131.51 56.1 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 124.528 1.131 . . . . 0.0 109.184 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -108.7 91.61 3.72 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.1 mt -90.82 140.17 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -134.64 123.19 23.37 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.17 0.988 . . . . 0.0 108.631 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -89.29 144.64 25.94 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.13 88.89 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.484 1.114 . . . . 0.0 111.247 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 117.385 -1.786 . . . . 0.0 111.71 179.328 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttt . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.84 148.12 48.01 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 124.992 1.317 . . . . 0.0 111.127 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -69.55 168.31 14.95 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.225 1.01 . . . . 0.0 109.86 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 m -137.01 174.61 11.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 125.086 1.354 . . . . 0.0 110.129 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.4 m -123.17 131.79 53.82 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.542 1.937 . . . . 0.0 106.001 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.6 mt -126.08 131.76 71.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 124.695 1.198 . . . . 0.0 108.281 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HE2' ' OE2' ' A' ' 21' ' ' GLU . 2.6 tppp? -92.48 120.53 33.05 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 126.12 1.768 . . . . 0.0 107.907 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.09 110.31 20.52 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -94.51 132.17 39.46 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mp -127.11 126.58 43.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 118.995 0.816 . . . . 0.0 110.662 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.86 131.69 66.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 125.443 1.497 . . . . 0.0 109.238 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -111.94 149.5 31.82 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.37 -12.92 61.42 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.071 0.462 . . . . 0.0 110.429 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -64.82 3.23 0.57 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.389 2.275 . . . . 0.0 112.788 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.33 36.02 46.18 Favored Glycine 0 C--N 1.336 0.546 0 CA-C-N 120.35 1.432 . . . . 0.0 112.19 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.7 t -149.31 142.74 25.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.4 p -116.91 158.27 24.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.4 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -149.64 162.89 39.32 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.081 1.753 . . . . 0.0 106.907 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -146.19 151.78 38.17 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.59 148.47 44.19 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 105.707 -1.961 . . . . 0.0 105.707 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.438 ' OE2' ' HE2' ' A' ' 7' ' ' LYS . 91.8 mt-10 -133.42 114.06 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 -178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -107.4 149.11 28.26 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.286 1.034 . . . . 0.0 110.061 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -130.97 133.46 45.83 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 127.399 2.28 . . . . 0.0 107.087 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.56 -157.92 28.09 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -71.92 170.54 13.54 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.06 -17.26 56.87 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.357 1.063 . . . . 0.0 110.466 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -111.8 -27.21 8.58 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 118.848 0.749 . . . . 0.0 110.952 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -79.91 -21.77 43.54 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 118.888 0.767 . . . . 0.0 109.72 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.16 -8.4 39.53 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 120.874 -1.141 . . . . 0.0 110.02 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.2 m -102.13 -42.62 6.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.118 0.967 . . . . 0.0 110.888 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 t -75.58 -24.55 56.62 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 119.171 0.896 . . . . 0.0 110.807 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -73.22 -40.23 64.87 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.97 88.55 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.192 0.997 . . . . 0.0 110.454 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -72.21 -29.65 64.17 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 119.5 -0.88 . . . . 0.0 109.631 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -32.47 66.58 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -63.45 -38.43 91.11 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.0 66.54 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.501 -0.75 . . . . 0.0 109.913 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.04 -36.97 83.19 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.206 1.002 . . . . 0.0 110.197 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.46 11.11 7.42 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.133 0.973 . . . . 0.0 111.657 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.2 mt -120.76 -28.0 4.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.248 1.419 . . . . 0.0 109.557 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.46 -40.94 88.51 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.696 1.134 . . . . 0.0 110.113 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.94 -16.15 48.79 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.994 1.318 . . . . 0.0 112.285 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.25 7.34 11.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.195 1.798 . . . . 0.0 111.072 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -136.38 -83.93 0.37 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.104 0.962 . . . . 0.0 111.726 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.74 -175.39 43.9 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 127.666 2.555 . . . . 0.0 108.028 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -57.99 161.91 3.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 117.856 0.828 . . . . 0.0 110.704 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -142.92 165.38 27.52 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 122.002 0.906 . . . . 0.0 111.787 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.35 157.72 41.8 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.881 1.673 . . . . 0.0 108.652 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.0 p -140.87 136.6 34.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.504 0.669 . . . . 0.0 110.367 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.98 110.9 20.31 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 126.826 2.051 . . . . 0.0 107.338 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.0 t -80.3 132.76 31.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.18 176.19 9.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.125 1.37 . . . . 0.0 108.934 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 36.28 68.32 0.26 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 128.262 2.625 . . . . 0.0 111.993 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 50.86 24.64 1.85 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.969 2.108 . . . . 0.0 115.127 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.5 -15.8 61.54 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-O 118.72 -1.044 . . . . 0.0 112.118 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -73.74 -4.4 34.31 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.052 1.341 . . . . 0.0 112.833 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.1 m -132.75 121.92 23.77 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.5 mt -121.61 110.42 15.97 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -97.29 106.23 18.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 mt -103.67 130.87 53.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -132.96 120.86 21.97 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.613 1.165 . . . . 0.0 108.386 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.49 140.63 34.47 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.01 -48.72 28.19 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.394 1.078 . . . . 0.0 109.774 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.341 0 CA-C-O 115.698 -2.723 . . . . 0.0 112.274 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mmt . . . . . 0 CA--C 1.515 -0.382 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -117.28 12.21 14.28 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.307 1.443 . . . . 0.0 109.659 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -61.25 167.21 3.27 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.255 2.222 . . . . 0.0 111.462 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.3 m -126.76 174.27 10.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 126.64 1.976 . . . . 0.0 108.827 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -132.39 103.82 6.39 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -107.59 128.41 62.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -100.92 131.61 46.72 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.973 1.309 . . . . 0.0 110.673 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.16 112.26 25.07 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.403 1.481 . . . . 0.0 107.11 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -86.6 120.67 28.17 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 101.377 -3.564 . . . . 0.0 101.377 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.6 mt -112.16 110.96 21.52 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.316 1.447 . . . . 0.0 110.47 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -123.28 136.8 58.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 O-C-N 121.101 -0.999 . . . . 0.0 108.876 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.428 ' HA ' ' HB2' ' A' ' 62' ' ' PHE . 20.6 m-85 -128.28 147.1 50.58 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HB3' ' HA3' ' A' ' 64' ' ' GLY . . . -75.98 -2.64 31.47 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.32 -12.8 15.17 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 126.675 1.99 . . . . 0.0 111.044 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.45 21.62 8.25 Favored Glycine 0 C--N 1.341 0.855 0 C-N-CA 126.153 1.835 . . . . 0.0 113.496 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -142.74 158.33 43.75 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 120.29 2.045 . . . . 0.0 114.77 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.8 p -122.59 143.88 49.46 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.941 2.096 . . . . 0.0 107.115 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -151.47 159.29 44.25 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.551 1.54 . . . . 0.0 107.608 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.9 m -147.06 144.72 29.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.34 155.21 48.77 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.812 1.245 . . . . 0.0 107.863 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -131.86 135.59 46.81 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -124.72 144.69 50.09 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.475 1.51 . . . . 0.0 108.206 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.7 mp0 -127.84 155.13 44.61 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.617 1.167 . . . . 0.0 109.13 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.82 -160.34 27.03 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.9 p -64.12 170.55 3.56 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -58.13 -43.92 87.52 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.772 -1.205 . . . . 0.0 111.585 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -77.78 -26.17 49.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.411 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -80.91 -24.13 38.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.011 1.278 . . . . 0.0 111.917 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.28 -7.27 58.63 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.133 -0.979 . . . . 0.0 109.351 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.3 m -108.23 -41.86 4.78 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.962 1.305 . . . . 0.0 111.709 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.6 t -73.79 -25.6 60.21 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.316 0.962 . . . . 0.0 111.456 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.06 -40.88 74.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 118.749 0.704 . . . . 0.0 109.783 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.05 -48.78 72.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 124.114 0.965 . . . . 0.0 110.578 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -70.47 -29.35 65.88 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 118.579 -1.249 . . . . 0.0 109.612 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.86 85.5 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.755 1.161 . . . . 0.0 108.838 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -66.97 -46.71 73.83 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.28 77.95 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.25 -0.906 . . . . 0.0 110.822 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -66.71 -28.4 68.41 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.168 1.387 . . . . 0.0 109.899 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -89.62 -1.16 57.94 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.743 1.156 . . . . 0.0 111.513 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.3 mt -104.23 -29.54 10.74 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.834 1.254 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -21.95 66.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 118.425 0.557 . . . . 0.0 110.419 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.18 -3.34 1.76 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 130.197 3.399 . . . . 0.0 112.558 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -148.4 -31.35 0.27 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 125.445 1.498 . . . . 0.0 112.047 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -82.14 -69.27 0.63 Allowed 'General case' 0 C--N 1.339 0.136 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.34 -178.02 32.2 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 128.009 2.718 . . . . 0.0 107.069 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.16 162.03 20.68 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 122.346 1.07 . . . . 0.0 111.843 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 -140.52 159.01 43.13 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.427 1.491 . . . . 0.0 111.59 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.9 p -116.38 161.66 18.72 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -141.62 153.15 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 O-C-N 121.41 -0.806 . . . . 0.0 109.906 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -133.32 119.0 19.17 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.196 1.398 . . . . 0.0 107.248 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.48 119.88 30.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.02 178.17 7.71 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.445 0.698 . . . . 0.0 109.71 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 48.02 53.19 11.95 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.917 1.687 . . . . 0.0 110.046 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 57.6 16.21 3.27 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.083 2.153 . . . . 0.0 113.835 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.81 -5.25 56.53 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.853 1.216 . . . . 0.0 111.536 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -77.69 -11.18 59.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 118.801 1.3 . . . . 0.0 111.335 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.3 m -133.94 122.47 23.15 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.195 0.998 . . . . 0.0 109.543 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.34 111.28 22.03 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -93.87 100.9 12.99 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.7 mt -99.0 134.83 36.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 124.655 1.182 . . . . 0.0 109.182 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -130.17 105.34 7.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.047 1.339 . . . . 0.0 110.255 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 12' ' ' PHE . 12.2 m-85 -77.19 117.97 19.24 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 105.641 -1.985 . . . . 0.0 105.641 178.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.64 -41.89 2.35 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.725 2.01 . . . . 0.0 114.614 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.468 ' HA3' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.246 0.883 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.89 162.32 38.01 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 118.637 0.653 . . . . 0.0 111.708 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -88.28 -179.96 6.23 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 127.487 2.315 . . . . 0.0 109.509 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.44 168.34 12.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 125.286 1.434 . . . . 0.0 109.834 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m -120.64 119.09 31.83 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 103.548 -2.76 . . . . 0.0 103.548 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -116.32 120.03 63.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -92.66 131.26 37.9 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.11 0.964 . . . . 0.0 109.916 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.61 122.3 42.26 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 125.871 1.668 . . . . 0.0 107.746 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -92.83 133.96 35.55 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 106.201 -1.777 . . . . 0.0 106.201 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mp -126.84 123.64 37.78 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.593 1.088 . . . . 0.0 112.188 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.39 132.24 66.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 127.247 2.219 . . . . 0.0 108.671 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -125.03 142.37 51.54 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.61 -11.07 21.98 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.6 1.16 . . . . 0.0 112.684 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -66.98 -7.22 20.77 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.842 0.857 . . . . 0.0 110.916 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.57 50.54 2.52 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 107.449 -2.26 . . . . 0.0 107.449 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 m -142.39 140.18 31.93 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.206 1.402 . . . . 0.0 111.339 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.3 p -135.36 127.35 29.63 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -139.88 166.75 23.8 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.145 2.178 . . . . 0.0 108.146 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.4 p -135.0 152.4 51.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.62 141.09 31.86 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -131.42 130.28 42.34 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -121.01 140.48 51.86 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -122.79 137.31 54.96 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.737 1.215 . . . . 0.0 108.175 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.05 -162.9 32.05 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 106.841 -2.503 . . . . 0.0 106.841 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 p -71.52 174.99 5.91 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 118.593 -1.243 . . . . 0.0 108.878 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -48.25 -49.35 33.67 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.703 0.801 . . . . 0.0 111.8 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -79.59 -26.93 41.15 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -78.55 -22.57 47.01 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.735 0.698 . . . . 0.0 110.489 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.27 -4.57 48.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.721 0.808 . . . . 0.0 110.367 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.4 m -107.97 -42.62 4.63 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 118.57 -0.729 . . . . 0.0 110.636 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -72.34 -24.71 61.33 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.404 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -67.49 -42.01 83.62 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.08 88.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.472 0.709 . . . . 0.0 111.113 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-30 -73.07 -29.27 62.83 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.12 -40.15 53.48 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -58.36 -38.9 78.17 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.265 1.026 . . . . 0.0 108.804 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.65 63.36 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.722 -0.611 . . . . 0.0 112.028 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -68.99 -37.56 78.8 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.509 1.504 . . . . 0.0 108.403 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -11.93 61.24 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.493 1.117 . . . . 0.0 110.866 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -102.21 -26.03 13.48 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.87 1.268 . . . . 0.0 109.683 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.72 -44.6 93.12 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.466 1.506 . . . . 0.0 108.513 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.95 -11.16 25.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.554 1.542 . . . . 0.0 111.385 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -117.57 -9.6 10.77 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.211 1.404 . . . . 0.0 113.447 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -129.91 -71.95 0.59 Allowed 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.439 1.096 . . . . 0.0 112.781 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.83 -176.73 40.58 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 127.38 2.419 . . . . 0.0 108.581 -178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -61.88 163.86 7.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 122.146 0.974 . . . . 0.0 109.891 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -146.45 171.29 15.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.668 0.747 . . . . 0.0 111.868 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 p -130.45 168.71 16.57 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 127.173 2.189 . . . . 0.0 106.493 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.7 p -147.23 119.19 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 121.122 -0.986 . . . . 0.0 108.899 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -95.56 109.02 21.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 105.62 -1.993 . . . . 0.0 105.62 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.1 t -80.95 134.55 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 124.348 1.059 . . . . 0.0 109.91 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.85 171.36 14.16 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.598 1.159 . . . . 0.0 110.081 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 50.31 49.54 20.39 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 125.792 1.637 . . . . 0.0 108.567 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 62.03 -10.32 0.08 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 128.332 2.653 . . . . 0.0 113.987 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 143.0 -14.83 2.37 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.163 1.84 . . . . 0.0 112.401 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -69.09 -9.71 54.03 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.565 1.682 . . . . 0.0 113.876 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.5 m -133.25 113.87 13.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.2 mt -110.37 110.06 20.71 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -93.73 100.51 12.71 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.81 140.13 16.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -134.73 114.16 12.4 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 125.151 1.381 . . . . 0.0 108.042 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -90.63 144.94 25.26 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.934 1.243 . . . . 0.0 110.842 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.05 75.18 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.707 0.803 . . . . 0.0 109.989 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.918 0 C-N-CA 124.026 0.822 . . . . 0.0 111.187 179.65 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -141.68 -176.09 4.63 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.257 1.023 . . . . 0.0 109.42 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -108.21 162.8 13.74 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.326 1.05 . . . . 0.0 109.046 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.1 165.76 13.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 127.007 2.123 . . . . 0.0 106.925 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.28 137.44 51.78 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.8 mt -126.37 132.34 70.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 126.417 1.887 . . . . 0.0 106.738 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -110.67 109.43 19.69 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 120.983 -1.073 . . . . 0.0 108.994 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.04 109.1 21.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -90.68 133.96 34.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 103.733 -2.691 . . . . 0.0 103.733 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mp -123.85 134.32 53.61 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 119.157 0.89 . . . . 0.0 110.885 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.1 mt -129.27 125.38 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 125.706 1.602 . . . . 0.0 108.21 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -110.23 143.22 40.71 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.95 -21.0 42.0 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -65.53 -12.59 54.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.837 1.255 . . . . 0.0 111.869 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.82 7.05 56.86 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.1 m -86.57 132.28 33.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 126.208 1.803 . . . . 0.0 106.526 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.6 p -132.25 150.57 52.13 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -144.0 153.31 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.53 0.732 . . . . 0.0 110.231 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 143.61 44.8 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 104.289 -2.486 . . . . 0.0 104.289 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.31 135.47 13.06 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -124.93 133.47 53.03 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -120.03 137.12 54.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -122.15 122.95 40.39 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.848 1.659 . . . . 0.0 107.035 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.66 -162.32 36.08 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 109.084 -1.607 . . . . 0.0 109.084 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.9 p -69.01 165.68 19.65 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -58.41 -35.75 72.53 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.259 -0.901 . . . . 0.0 110.114 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -83.42 -27.41 29.59 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 117.202 -1.38 . . . . 0.0 112.418 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -85.18 -23.84 28.17 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 120.842 1.655 . . . . 0.0 111.712 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.23 -4.19 54.74 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.499 -0.751 . . . . 0.0 109.364 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.4 m -108.17 -42.22 4.69 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.182 1.793 . . . . 0.0 109.861 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.2 p -72.36 -25.49 61.55 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 120.181 1.355 . . . . 0.0 111.137 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -74.16 -33.74 63.58 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.17 -43.38 67.6 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.037 1.335 . . . . 0.0 111.264 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -71.38 -29.25 64.73 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.22 -48.15 71.52 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 120.933 -1.104 . . . . 0.0 109.105 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -57.95 -36.46 72.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.263 0.625 . . . . 0.0 109.519 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.16 61.73 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.223 -0.923 . . . . 0.0 111.847 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.03 -37.31 79.4 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.114 1.765 . . . . 0.0 112.339 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -73.01 -11.69 60.66 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.2 mt -101.86 -9.71 20.5 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.839 1.256 . . . . 0.0 110.901 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.09 -37.87 88.9 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.426 1.49 . . . . 0.0 109.611 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -73.0 -17.08 61.49 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.314 1.446 . . . . 0.0 111.996 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.22 -6.3 19.89 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.081 1.753 . . . . 0.0 111.638 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -138.69 -74.59 0.38 Allowed 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 120.747 -1.22 . . . . 0.0 109.748 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.15 -160.0 30.11 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -60.34 162.8 5.71 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.418 1.087 . . . . 0.0 110.654 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -157.96 169.58 24.26 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.401 1.08 . . . . 0.0 111.37 -178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.0 p -139.46 157.86 45.12 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.6 t -133.39 127.95 54.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 O-C-N 121.737 -0.602 . . . . 0.0 109.676 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -89.28 138.41 31.46 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.0 t -115.47 115.37 49.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.09 175.84 9.43 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.425 1.09 . . . . 0.0 108.974 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.19 39.36 28.88 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.061 0.945 . . . . 0.0 111.466 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 67.63 6.4 4.98 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.01 2.124 . . . . 0.0 110.831 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.19 -10.35 24.6 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.458 1.98 . . . . 0.0 110.976 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.47 -4.7 31.96 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.244 1.022 . . . . 0.0 111.69 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.1 m -131.76 101.33 5.42 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.09 110.66 22.99 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 103.743 -2.688 . . . . 0.0 103.743 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -99.21 97.31 8.41 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.3 mt -84.9 128.42 38.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.789 1.635 . . . . 0.0 108.73 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -134.03 121.74 22.0 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -78.97 144.64 34.57 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.0 82.02 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 126.143 1.777 . . . . 0.0 114.67 -178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.326 0 C-N-CA 124.601 1.096 . . . . 0.0 111.654 -179.416 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtp . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -141.18 155.06 46.12 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 126.081 1.753 . . . . 0.0 106.654 179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -80.61 174.34 11.71 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 119.081 0.855 . . . . 0.0 109.514 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.4 m -142.25 165.18 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 C-N-CA 125.64 1.576 . . . . 0.0 108.981 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.5 m -116.48 115.08 25.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.7 mt -111.68 131.93 61.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 127.177 2.191 . . . . 0.0 107.536 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -114.44 131.37 56.63 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.649 1.18 . . . . 0.0 110.596 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.5 110.86 19.88 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -92.66 109.78 21.2 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 103.87 -2.641 . . . . 0.0 103.87 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -94.01 136.03 34.73 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 126.771 2.028 . . . . 0.0 109.202 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.3 mt -129.15 126.36 64.06 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 126.977 2.111 . . . . 0.0 106.741 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -119.22 138.76 52.75 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.77 -15.94 59.92 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.234 1.413 . . . . 0.0 109.789 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -60.59 -14.71 21.78 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 129.022 2.929 . . . . 0.0 112.332 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.22 35.2 4.26 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -152.74 175.51 12.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.227 -1.161 . . . . 0.0 111.463 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.3 p -142.63 161.18 38.75 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 128.434 2.694 . . . . 0.0 107.222 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -152.54 160.93 43.19 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.136 1.374 . . . . 0.0 107.697 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -130.22 145.79 51.77 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.46 147.38 43.18 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -139.88 137.85 35.2 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -128.99 134.38 48.14 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 125.574 1.55 . . . . 0.0 107.33 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -124.77 109.87 13.62 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.516 1.926 . . . . 0.0 106.451 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.54 -162.31 30.84 Favored Glycine 0 C--O 1.238 0.401 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.9 p -64.17 154.58 34.33 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 107.059 -1.459 . . . . 0.0 107.059 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -55.2 -34.03 63.56 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 120.826 -1.171 . . . . 0.0 111.241 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -80.75 -27.48 36.79 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 118.352 -0.832 . . . . 0.0 112.399 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -89.85 -24.26 21.45 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 119.128 0.876 . . . . 0.0 111.222 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.81 -12.51 59.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.366 -0.834 . . . . 0.0 109.043 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.3 m -103.27 -41.94 5.89 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.826 1.25 . . . . 0.0 108.624 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -68.34 -25.27 65.01 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 119.061 0.846 . . . . 0.0 110.94 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -85.86 -30.33 23.01 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.603 -0.686 . . . . 0.0 109.719 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.18 -46.72 82.75 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.299 1.04 . . . . 0.0 111.613 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -71.75 -30.62 65.79 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 118.988 -1.085 . . . . 0.0 110.132 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.67 74.0 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.171 0.51 . . . . 0.0 109.778 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -66.46 -33.85 76.61 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.409 -0.807 . . . . 0.0 109.187 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -44.78 46.46 Favored 'General case' 0 C--O 1.223 -0.332 0 O-C-N 121.377 -0.827 . . . . 0.0 109.084 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -51.92 -36.37 48.81 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 127.003 2.121 . . . . 0.0 115.238 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 t -65.25 -26.67 68.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.436 1.016 . . . . 0.0 111.025 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.05 -10.82 54.3 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 125.271 1.429 . . . . 0.0 110.657 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.95 -30.87 71.89 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.079 1.351 . . . . 0.0 111.066 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.33 -4.23 44.03 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.807 0.843 . . . . 0.0 111.83 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -123.32 -32.64 3.38 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.669 1.587 . . . . 0.0 113.064 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -114.59 -12.58 12.23 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.803 1.241 . . . . 0.0 112.937 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.72 -170.24 43.74 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 119.149 0.886 . . . . 0.0 111.303 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.68 159.76 8.22 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 122.805 1.288 . . . . 0.0 111.607 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -134.89 175.17 9.81 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 126.062 1.745 . . . . 0.0 109.661 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.0 p -130.12 148.71 51.99 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 128.018 2.527 . . . . 0.0 105.686 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -138.5 149.66 24.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -129.78 109.93 11.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 126.358 1.863 . . . . 0.0 106.772 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.7 t -83.51 101.8 8.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.65 179.36 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.152 1.381 . . . . 0.0 110.771 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t70 50.61 60.52 3.8 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.415 1.486 . . . . 0.0 111.219 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 57.46 3.55 0.18 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.973 2.109 . . . . 0.0 113.802 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.64 30.54 4.28 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 125.324 1.44 . . . . 0.0 110.637 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -125.68 5.61 7.47 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.806 1.303 . . . . 0.0 112.685 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.0 m -135.54 117.72 15.51 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.3 mt -117.43 110.54 18.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -97.7 114.45 26.43 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 102.376 -3.194 . . . . 0.0 102.376 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.8 mt -112.26 127.9 69.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.681 1.592 . . . . 0.0 108.776 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -132.86 135.14 45.43 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.497 1.119 . . . . 0.0 109.308 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -98.53 146.44 25.78 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 125.134 1.374 . . . . 0.0 108.371 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.16 86.73 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 110.603 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.695 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.899 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptm . . . . . 0 N--CA 1.468 0.448 0 CA-C-O 121.371 0.605 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -153.99 167.07 31.01 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 127.627 2.371 . . . . 0.0 106.211 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -92.51 170.52 9.69 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.499 1.12 . . . . 0.0 108.262 178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.8 m -145.19 170.31 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 C-N-CA 127.881 2.472 . . . . 0.0 107.517 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -130.39 122.58 28.09 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 103.464 -2.791 . . . . 0.0 103.464 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mt -118.8 131.45 71.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 131.12 38.34 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.12 110.6 17.26 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.87 0.868 . . . . 0.0 110.334 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -91.75 128.25 37.52 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 106.08 -1.822 . . . . 0.0 106.08 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mp -127.49 134.15 49.82 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.6 125.86 62.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 124.483 1.113 . . . . 0.0 109.46 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -99.87 143.54 29.97 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.06 -9.96 44.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.558 0.743 . . . . 0.0 109.943 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -64.73 -18.16 64.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 128.995 2.918 . . . . 0.0 112.918 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.35 31.85 6.98 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 109.864 -1.295 . . . . 0.0 109.864 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.2 m -139.89 130.9 26.26 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.557 1.543 . . . . 0.0 108.89 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.1 p -113.41 158.09 21.09 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -146.7 145.45 30.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.126 -0.984 . . . . 0.0 110.466 -178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.95 135.92 40.64 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 126.403 1.881 . . . . 0.0 106.885 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.87 157.56 43.31 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -154.87 151.66 28.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -136.27 145.22 45.34 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 125.19 1.396 . . . . 0.0 108.454 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -132.04 125.9 32.58 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.176 1.79 . . . . 0.0 109.377 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.1 -163.59 36.92 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 107.075 -2.41 . . . . 0.0 107.075 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.4 p -67.8 170.5 7.91 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.116 -1.226 . . . . 0.0 109.343 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.76 -30.58 61.5 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.176 0.99 . . . . 0.0 110.39 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -96.78 -25.73 15.39 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 117.687 -1.149 . . . . 0.0 112.88 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -79.32 -21.11 46.36 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.417 1.008 . . . . 0.0 110.719 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.72 1.0 40.01 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.917 0.887 . . . . 0.0 112.887 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.0 m -107.16 -42.41 4.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 120.053 1.297 . . . . 0.0 114.398 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.3 m -71.74 -24.21 61.74 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 121.473 1.942 . . . . 0.0 109.364 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.15 -39.52 89.88 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.05 -42.38 89.6 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 121.932 -0.48 . . . . 0.0 110.088 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -72.52 -29.56 63.7 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.79 -36.15 75.47 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -64.27 -34.78 78.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.12 -41.72 57.89 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.588 0.755 . . . . 0.0 109.32 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -58.97 -36.16 74.38 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 126.38 1.872 . . . . 0.0 112.015 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.0 t -73.3 -6.16 44.27 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.567 -0.708 . . . . 0.0 110.557 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.9 mt -111.35 -10.77 14.21 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.477 1.911 . . . . 0.0 109.439 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.16 -16.56 63.66 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.371 1.868 . . . . 0.0 109.895 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.89 -2.64 56.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.704 2.001 . . . . 0.0 111.001 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -126.27 -29.32 3.01 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.565 1.146 . . . . 0.0 112.296 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -114.54 -34.28 5.28 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 124.184 0.993 . . . . 0.0 113.039 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.43 -158.15 16.02 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 119.637 1.108 . . . . 0.0 111.188 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -52.19 155.62 1.91 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.994 1.318 . . . . 0.0 113.151 -179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -145.99 168.41 20.95 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.847 1.659 . . . . 0.0 110.47 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -131.41 160.14 35.95 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.23 1.412 . . . . 0.0 109.149 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.3 p -147.7 143.28 19.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 O-C-N 121.729 -0.607 . . . . 0.0 111.547 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -124.53 109.19 12.92 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -83.43 112.94 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 105.2 -2.148 . . . . 0.0 105.2 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.3 -179.27 5.41 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.007 0.523 . . . . 0.0 110.282 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.49 59.69 4.4 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 126.166 1.786 . . . . 0.0 108.974 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 52.74 21.54 1.95 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.745 1.218 . . . . 0.0 113.185 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.7 -8.43 65.98 Favored Glycine 0 CA--C 1.532 1.145 0 O-C-N 120.932 -1.105 . . . . 0.0 113.029 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -80.35 -11.86 59.66 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.153 1.381 . . . . 0.0 114.235 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.7 m -130.23 101.22 5.69 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.4 mt -93.59 116.08 28.58 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -101.55 100.28 10.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.6 mt -103.52 136.94 34.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 126.338 1.855 . . . . 0.0 108.958 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -134.83 140.95 46.24 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.814 1.646 . . . . 0.0 109.264 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -101.39 146.56 27.43 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.723 -1.236 . . . . 0.0 108.797 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.78 -34.3 39.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.398 0.618 . . . . 0.0 110.087 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.601 0 C-N-CA 126.698 2.094 . . . . 0.0 112.825 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -146.85 157.89 43.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -154.84 173.3 16.67 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 125.755 1.622 . . . . 0.0 107.687 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 m -140.24 174.58 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 125.371 1.469 . . . . 0.0 109.001 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 m -118.99 110.85 17.6 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 mt -110.48 121.62 63.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.796 1.639 . . . . 0.0 107.726 -178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -105.8 110.14 22.34 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.233 1.413 . . . . 0.0 110.03 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.62 129.47 34.84 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 120.792 -1.192 . . . . 0.0 109.688 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -86.42 128.98 35.01 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -126.42 122.11 34.37 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mt -129.11 148.39 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -127.46 140.93 51.83 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.71 -20.32 64.78 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.626 1.57 . . . . 0.0 110.873 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -63.94 -17.23 63.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.167 1.387 . . . . 0.0 110.732 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.16 48.36 1.73 Allowed Glycine 0 C--N 1.338 0.665 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 m -135.48 155.99 49.62 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.099 0.959 . . . . 0.0 110.208 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -137.95 137.82 38.34 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.642 1.177 . . . . 0.0 109.458 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -141.02 166.54 24.51 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 127.107 2.163 . . . . 0.0 109.231 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.3 m -142.78 134.83 27.17 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 105.01 -2.219 . . . . 0.0 105.01 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.69 135.48 53.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 103.855 -2.646 . . . . 0.0 103.855 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -120.32 136.83 54.56 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -123.28 152.78 41.03 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 125.638 1.575 . . . . 0.0 108.433 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -132.99 166.13 23.1 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 127.79 2.436 . . . . 0.0 105.595 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.87 -172.81 14.42 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.5 p -62.9 158.58 18.73 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.35 0.595 . . . . 0.0 109.625 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -50.15 -51.27 44.9 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.422 1.089 . . . . 0.0 111.698 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -70.79 -25.44 62.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -82.58 -23.4 34.45 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.538 1.063 . . . . 0.0 110.903 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -89.07 0.99 56.24 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.393 -0.817 . . . . 0.0 109.557 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.1 m -108.4 -42.3 4.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.652 1.181 . . . . 0.0 109.995 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 p -70.22 -24.94 63.18 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.173 0.897 . . . . 0.0 111.859 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -85.22 -36.89 20.68 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.49 85.18 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.963 -0.46 . . . . 0.0 109.779 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -73.06 -29.59 63.08 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.957 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.59 -36.93 73.82 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.526 1.057 . . . . 0.0 109.969 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -63.21 -32.12 73.44 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.303 -0.873 . . . . 0.0 109.334 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.5 -40.31 61.88 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.873 0.869 . . . . 0.0 109.54 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.58 -29.96 64.88 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -71.8 -30.12 65.18 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.239 1.381 . . . . 0.0 109.926 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.5 mt -79.89 -10.21 59.75 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.935 1.294 . . . . 0.0 112.302 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.21 -43.49 94.87 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.071 0.949 . . . . 0.0 108.851 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.59 -11.39 43.84 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.371 1.468 . . . . 0.0 112.734 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -113.71 -3.88 13.48 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 125.25 1.42 . . . . 0.0 112.966 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -139.12 -64.46 0.5 Allowed 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 119.376 0.989 . . . . 0.0 110.532 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.47 -161.88 28.73 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 107.022 -2.431 . . . . 0.0 107.022 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -61.68 160.6 11.32 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.331 0.586 . . . . 0.0 110.492 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 48.9 p-90 -143.44 167.35 22.39 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.959 1.304 . . . . 0.0 109.212 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 p -123.18 161.1 25.14 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.746 1.218 . . . . 0.0 108.916 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -146.33 146.47 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-O 121.466 0.651 . . . . 0.0 109.788 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -136.65 120.23 17.13 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.259 1.423 . . . . 0.0 107.813 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.2 t -80.73 122.94 36.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.95 -175.9 4.69 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.862 0.865 . . . . 0.0 109.236 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 t70 52.97 48.48 22.33 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.55 1.54 . . . . 0.0 111.071 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 63.03 9.41 3.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.322 1.449 . . . . 0.0 112.218 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.48 0.13 53.33 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 126.112 1.815 . . . . 0.0 111.242 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.97 -22.21 29.25 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 119.435 1.617 . . . . 0.0 111.526 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 m -131.23 103.1 6.28 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.551 0.691 . . . . 0.0 111.065 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.03 131.16 36.79 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 128.678 2.791 . . . . 0.0 106.442 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.46 92.43 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.479 1.512 . . . . 0.0 108.583 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.1 mt -93.34 133.45 34.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -133.95 141.36 47.27 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.636 0.774 . . . . 0.0 109.443 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -97.31 165.38 12.05 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.213 0.205 . . . . 0.0 110.837 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.0 -16.25 7.09 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 117.573 -1.682 . . . . 0.0 109.785 -178.857 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.0 mtt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -133.91 164.49 27.17 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 125.321 1.448 . . . . 0.0 107.677 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.77 168.64 19.15 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.227 1.411 . . . . 0.0 112.008 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m -143.77 169.26 10.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 127.215 2.206 . . . . 0.0 106.931 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -122.78 95.3 4.57 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.9 mt -91.54 132.36 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 128.165 2.586 . . . . 0.0 108.303 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -102.0 119.32 38.61 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.922 2.089 . . . . 0.0 113.488 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.19 110.23 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -89.89 115.79 27.47 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.7 mt -111.61 134.83 52.92 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.978 1.311 . . . . 0.0 109.591 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.66 108.87 14.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 C-N-CA 129.549 3.14 . . . . 0.0 107.981 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -92.61 149.92 21.04 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.53 -12.56 53.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.177 0.591 . . . . 0.0 109.877 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -69.98 -6.52 33.84 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.314 1.845 . . . . 0.0 110.162 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.03 51.62 5.29 Favored Glycine 0 C--N 1.337 0.587 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.7 m -156.44 132.66 9.91 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.124 1.77 . . . . 0.0 106.792 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.5 p -110.76 153.32 25.5 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -141.62 143.0 33.43 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.876 0.87 . . . . 0.0 109.428 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.53 147.62 44.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.49 146.98 24.03 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.87 149.77 51.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -127.07 134.19 50.32 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -111.81 109.7 19.66 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 126.358 1.863 . . . . 0.0 107.308 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.19 -172.25 44.74 Favored Glycine 0 C--N 1.332 0.31 0 O-C-N 121.584 -0.697 . . . . 0.0 111.455 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -64.18 171.58 2.93 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 122.003 0.906 . . . . 0.0 109.387 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -68.36 -7.08 28.11 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.319 -0.863 . . . . 0.0 111.793 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -116.31 -25.82 7.39 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.051 -1.031 . . . . 0.0 111.955 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -82.53 -9.62 59.33 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.91 1.232 . . . . 0.0 111.643 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.32 -17.22 11.36 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.5 m -80.41 -43.48 20.93 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.575 1.534 . . . . 0.0 110.886 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 m -72.86 -23.22 60.72 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 121.032 -1.042 . . . . 0.0 108.921 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.04 -45.95 69.14 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.76 96.17 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.496 0.589 . . . . 0.0 109.692 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -72.42 -29.97 64.19 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 122.169 -0.332 . . . . 0.0 110.525 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.82 64.92 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 120.666 -1.271 . . . . 0.0 108.163 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -62.11 -32.8 73.42 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.89 49.96 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.555 0.742 . . . . 0.0 109.262 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.13 -36.79 71.11 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.712 1.605 . . . . 0.0 111.499 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -74.61 -10.33 59.44 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.969 0.804 . . . . 0.0 111.447 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.0 mt -101.09 -23.41 14.49 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.027 1.331 . . . . 0.0 109.778 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.98 -35.19 76.15 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 127.412 2.285 . . . . 0.0 110.713 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.12 -14.04 43.73 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.114 0.966 . . . . 0.0 112.699 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.87 -1.7 8.85 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.293 1.437 . . . . 0.0 112.243 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -135.62 -14.49 1.91 Allowed 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.07 -173.77 41.52 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -56.28 160.62 2.91 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 126.472 1.909 . . . . 0.0 112.841 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -144.61 -179.42 6.55 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.571 1.548 . . . . 0.0 111.407 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.7 p -138.9 151.83 47.26 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.114 1.765 . . . . 0.0 107.993 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 p -141.17 128.16 21.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 119.304 0.957 . . . . 0.0 109.254 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -104.42 114.79 29.25 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 104.335 -2.468 . . . . 0.0 104.335 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.87 115.49 30.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -135.44 -175.84 4.07 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.214 1.006 . . . . 0.0 110.498 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 56.57 41.35 28.69 Favored 'General case' 0 C--O 1.223 -0.313 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 67.37 4.46 3.75 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.027 2.131 . . . . 0.0 111.829 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.87 3.71 19.69 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 126.63 2.062 . . . . 0.0 111.473 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -86.83 -2.18 58.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.706 1.253 . . . . 0.0 112.111 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.6 m -132.49 130.53 40.59 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.7 mt -124.6 109.87 13.73 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -104.34 95.13 5.73 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.6 mt -92.7 135.75 26.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 125.187 1.395 . . . . 0.0 110.767 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -134.94 123.09 22.84 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.246 1.018 . . . . 0.0 109.658 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -87.31 152.22 22.46 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.23 -40.09 62.65 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.211 0.605 . . . . 0.0 110.164 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.814 0 CA-C-O 118.078 -1.401 . . . . 0.0 111.164 179.578 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -150.8 126.37 10.18 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 104.407 -2.442 . . . . 0.0 104.407 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 15.5 mp0 -72.17 162.05 30.01 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 124.327 1.051 . . . . 0.0 111.219 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.73 169.05 19.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 125.592 1.557 . . . . 0.0 109.47 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.2 m -129.13 108.15 10.14 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.0 mt -108.91 132.08 57.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 126.843 2.057 . . . . 0.0 108.941 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -105.1 131.56 52.44 Favored 'General case' 0 CA--C 1.516 -0.337 0 C-N-CA 123.891 0.876 . . . . 0.0 109.562 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.5 110.66 20.18 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -97.04 129.02 44.54 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 101.713 -3.439 . . . . 0.0 101.713 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mp -118.79 135.68 54.39 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.687 1.195 . . . . 0.0 110.338 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.03 129.72 74.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.866 1.666 . . . . 0.0 106.708 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -114.2 149.05 36.36 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.264 1.026 . . . . 0.0 110.711 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.63 -13.74 62.34 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -59.08 -19.07 40.95 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.955 2.502 . . . . 0.0 110.853 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.92 45.87 3.26 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 109.264 -1.535 . . . . 0.0 109.264 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 p -165.19 167.41 18.11 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.671 -0.9 . . . . 0.0 110.435 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.2 p -126.42 167.27 15.79 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.685 1.594 . . . . 0.0 108.74 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -148.69 166.24 28.95 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 126.663 1.985 . . . . 0.0 108.972 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -147.01 148.05 31.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.13 140.32 27.92 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -120.41 119.78 34.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -112.05 146.66 37.53 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -132.19 149.61 52.35 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 125.231 1.413 . . . . 0.0 108.018 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.9 -154.22 22.1 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.8 p -74.21 163.81 27.38 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.838 0.828 . . . . 0.0 109.787 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.9 -13.17 5.59 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.125 2.17 . . . . 0.0 113.648 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -115.65 -26.0 7.63 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 118.094 -0.955 . . . . 0.0 111.735 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -81.67 -24.43 36.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.139 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.38 -18.39 36.29 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 120.729 -1.232 . . . . 0.0 110.34 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.6 m -88.1 -38.78 15.11 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 m -68.55 -25.54 64.97 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.776 -0.631 . . . . 0.0 109.848 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.72 -35.85 60.14 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.69 98.42 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.092 0.86 . . . . 0.0 109.596 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -72.53 -29.36 63.52 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.126 0.57 . . . . 0.0 111.383 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.65 -43.73 53.9 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.566 0.746 . . . . 0.0 109.153 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -61.85 -39.48 92.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.767 1.227 . . . . 0.0 108.755 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.08 -18.7 60.78 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.859 -0.525 . . . . 0.0 111.502 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.56 -37.23 82.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.289 0.949 . . . . 0.0 110.685 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.21 1.44 11.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.095 0.958 . . . . 0.0 110.329 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -116.4 -27.49 6.77 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 126.284 1.833 . . . . 0.0 108.055 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -63.31 -48.97 75.82 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.384 1.447 . . . . 0.0 108.821 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.97 -9.66 55.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.897 0.879 . . . . 0.0 112.88 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -115.46 -14.62 11.55 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.245 -0.909 . . . . 0.0 113.327 -178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -121.35 -48.41 2.2 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.867 1.267 . . . . 0.0 111.663 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.11 -166.94 24.27 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.09 165.53 3.33 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 122.319 1.057 . . . . 0.0 110.622 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -143.29 169.18 18.13 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 122.285 1.041 . . . . 0.0 112.086 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.7 p -128.11 144.91 51.14 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.66 147.82 33.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 122.326 1.06 . . . . 0.0 109.197 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.44 138.1 47.5 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.975 2.51 . . . . 0.0 105.389 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.6 p -116.48 128.42 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.48 -177.16 5.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.42 1.088 . . . . 0.0 110.625 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 55.16 41.75 31.26 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.079 1.351 . . . . 0.0 110.872 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 66.39 10.7 7.47 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.976 2.11 . . . . 0.0 111.788 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.19 -7.36 30.76 Favored Glycine 0 CA--C 1.523 0.594 0 C-N-CA 125.279 1.419 . . . . 0.0 111.484 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -77.9 -7.77 57.18 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.493 1.146 . . . . 0.0 111.674 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.2 m -132.95 136.14 45.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 119.343 0.974 . . . . 0.0 108.647 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.3 mt -125.95 131.83 52.2 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 126.086 1.754 . . . . 0.0 107.07 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -112.7 116.15 29.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.2 mt -111.68 128.86 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 104.543 -2.392 . . . . 0.0 104.543 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -133.25 107.97 8.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -68.82 141.61 55.09 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.6 -35.52 81.06 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.828 0.851 . . . . 0.0 112.52 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.349 0 C-N-CA 125.97 1.748 . . . . 0.0 109.432 -179.283 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.355 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -88.28 -178.85 6.01 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 124.896 1.279 . . . . 0.0 109.881 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -140.74 154.52 46.34 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 125.22 1.408 . . . . 0.0 108.146 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.18 166.75 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 124.898 1.279 . . . . 0.0 108.626 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.4 m -125.55 141.21 52.16 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.007 1.323 . . . . 0.0 111.018 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.7 mt -126.69 119.94 54.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.979 2.112 . . . . 0.0 108.664 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -100.57 109.44 21.53 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 123.779 0.831 . . . . 0.0 109.351 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.97 113.78 23.94 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -97.96 128.81 44.76 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 102.288 -3.227 . . . . 0.0 102.288 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -127.22 135.55 50.79 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.382 0.673 . . . . 0.0 110.66 -177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.5 mt -121.21 124.7 72.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 125.788 1.635 . . . . 0.0 106.955 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -101.18 151.11 22.24 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.44 -16.01 61.66 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.674 0.749 . . . . 0.0 109.931 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -66.49 -3.75 6.89 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.414 2.286 . . . . 0.0 111.211 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.78 31.74 55.34 Favored Glycine 0 C--N 1.338 0.644 0 O-C-N 120.678 -1.264 . . . . 0.0 111.554 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.6 156.81 47.14 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.1 p -123.23 177.95 5.34 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -156.03 163.05 40.17 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 m -144.97 144.24 30.94 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.99 113.14 7.53 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 104.544 -2.391 . . . . 0.0 104.544 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -96.8 110.76 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -107.8 148.16 29.89 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 126.366 1.866 . . . . 0.0 109.582 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -132.38 161.19 34.23 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.835 1.254 . . . . 0.0 108.323 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.05 -150.75 20.05 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 106.67 -2.572 . . . . 0.0 106.67 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 p -73.21 167.4 21.25 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -62.15 -45.68 92.34 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.99 -1.068 . . . . 0.0 108.594 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -72.1 -26.15 62.03 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.352 1.461 . . . . 0.0 113.119 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -87.98 -23.15 23.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 118.994 0.815 . . . . 0.0 112.112 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.35 -17.54 24.54 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.336 0.517 . . . . 0.0 109.822 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.6 m -75.26 -42.1 55.85 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.24 -24.04 62.11 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.415 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -65.77 -46.39 78.95 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.35 83.86 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.396 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -73.06 -29.07 62.7 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.541 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.57 -46.01 60.62 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -59.77 -32.5 70.64 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.692 1.197 . . . . 0.0 109.225 178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.88 -49.37 20.63 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.746 1.218 . . . . 0.0 109.665 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.41 -37.42 70.15 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.922 1.689 . . . . 0.0 113.567 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 t -71.22 -25.66 62.6 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.274 0.943 . . . . 0.0 110.533 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -86.16 -16.32 38.23 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.558 1.143 . . . . 0.0 111.471 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.03 -30.01 71.11 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.225 1.41 . . . . 0.0 110.237 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.61 -10.5 59.87 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.009 1.324 . . . . 0.0 111.689 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -115.96 -53.74 2.54 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 125.027 1.331 . . . . 0.0 113.397 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -79.36 -63.32 1.44 Allowed 'General case' 0 C--N 1.332 -0.195 0 O-C-N 122.236 -0.29 . . . . 0.0 110.721 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.43 -163.69 28.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 108.589 -1.804 . . . . 0.0 108.589 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.96 166.64 1.91 Allowed 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.005 0.922 . . . . 0.0 112.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -156.27 167.9 28.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 124.617 1.167 . . . . 0.0 111.082 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.2 p -130.73 162.22 29.96 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.613 1.565 . . . . 0.0 107.088 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.9 p -143.37 137.04 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -120.31 114.51 21.97 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.0 t -80.31 114.84 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 125.0 1.32 . . . . 0.0 109.92 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.422 ' HB3' HD21 ' A' ' 59' ' ' ASN . . . -128.33 176.16 7.91 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.06 1.344 . . . . 0.0 110.046 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 48.51 59.85 4.06 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 126.795 2.038 . . . . 0.0 110.392 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 63.4 -15.55 0.07 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 127.905 2.482 . . . . 0.0 113.982 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 135.33 0.04 3.44 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 127.254 2.359 . . . . 0.0 111.654 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -82.62 -18.33 41.53 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 119.171 1.486 . . . . 0.0 112.142 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.3 m -124.05 101.23 7.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 119.907 1.23 . . . . 0.0 110.762 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.3 mt -93.03 110.29 21.76 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 102.195 -3.261 . . . . 0.0 102.195 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.422 HD21 ' HB3' ' A' ' 52' ' ' ALA . 30.1 m-80 -92.9 92.91 8.11 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.1 mt -86.94 132.86 31.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 C-N-CA 124.406 1.082 . . . . 0.0 108.112 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -133.49 109.48 9.3 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -70.43 147.0 49.97 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 121.886 -0.509 . . . . 0.0 110.366 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.01 -40.29 8.93 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.593 1.957 . . . . 0.0 106.987 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.17 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -123.19 156.72 34.55 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 123.699 0.8 . . . . 0.0 110.571 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -97.08 161.71 13.7 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 124.838 1.255 . . . . 0.0 111.219 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.1 m -143.48 169.71 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 128.498 2.719 . . . . 0.0 107.778 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -123.2 125.88 45.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 105.126 -2.176 . . . . 0.0 105.126 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.5 mt -126.14 120.97 58.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -109.14 131.86 54.67 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 124.006 0.923 . . . . 0.0 110.864 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -100.11 110.48 22.76 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 126.634 1.974 . . . . 0.0 109.494 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -90.08 109.75 20.79 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 102.456 -3.164 . . . . 0.0 102.456 178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -109.26 131.57 54.94 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.865 0.866 . . . . 0.0 112.746 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.2 122.64 54.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 C-N-CA 128.745 2.818 . . . . 0.0 107.908 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -97.86 151.13 20.55 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.7 -10.2 50.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.68 0.392 . . . . 0.0 110.122 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -74.64 -10.24 59.35 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.978 1.311 . . . . 0.0 112.11 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.0 32.34 14.75 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 108.217 -1.953 . . . . 0.0 108.217 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.6 m -130.94 140.13 50.14 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 127.672 2.389 . . . . 0.0 107.134 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.1 p -122.92 169.34 11.24 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -150.36 148.99 29.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.813 0.845 . . . . 0.0 109.365 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -112.55 110.17 20.18 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 126.467 1.907 . . . . 0.0 106.221 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.18 143.36 46.41 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.67 158.42 44.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.42 -0.8 . . . . 0.0 110.027 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -137.73 153.4 49.76 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.823 1.249 . . . . 0.0 109.743 -178.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -132.13 140.32 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.493 1.517 . . . . 0.0 107.443 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.1 -162.92 31.2 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.5 p -68.43 173.79 4.64 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 122.206 1.003 . . . . 0.0 108.731 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -68.33 -3.89 12.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.386 -1.446 . . . . 0.0 110.906 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -115.8 -4.29 12.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.811 1.644 . . . . 0.0 112.897 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -111.39 7.45 20.9 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 120.194 1.361 . . . . 0.0 113.722 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.33 -17.86 4.61 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.5 m -91.2 -42.55 10.36 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.88 1.673 . . . . 0.0 110.472 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -23.67 62.55 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -67.59 -49.51 62.8 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.41 94.11 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 118.902 -0.571 . . . . 0.0 110.864 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.1 m-30 -72.36 -31.14 65.35 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 118.356 -0.83 . . . . 0.0 110.561 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.02 -44.25 55.12 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 120.0 1.273 . . . . 0.0 109.22 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -56.12 -43.39 78.1 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 124.934 1.293 . . . . 0.0 107.798 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.9 61.62 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 118.52 -0.752 . . . . 0.0 112.097 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.69 -34.72 77.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.541 1.064 . . . . 0.0 108.761 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -13.03 59.14 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.411 0.684 . . . . 0.0 110.292 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.2 mt -107.68 -9.47 15.83 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.357 1.863 . . . . 0.0 110.166 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.18 -42.9 99.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.99 -44.62 97.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 126.318 1.847 . . . . 0.0 110.544 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -77.49 -9.56 58.97 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.989 0.915 . . . . 0.0 112.803 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -133.35 -63.26 0.76 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.94 -178.69 31.49 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 128.207 2.813 . . . . 0.0 107.861 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -61.55 151.53 32.86 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 117.904 0.852 . . . . 0.0 110.425 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -124.67 171.57 9.96 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.886 1.274 . . . . 0.0 113.651 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.4 p -134.03 160.44 37.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.907 1.683 . . . . 0.0 108.168 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.3 145.97 18.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 O-C-N 121.432 -0.793 . . . . 0.0 109.612 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -118.6 108.73 15.31 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 105.31 -2.108 . . . . 0.0 105.31 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.7 t -81.0 114.54 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.82 -178.62 5.89 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 123.577 0.751 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.42 58.86 5.06 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 126.681 1.993 . . . . 0.0 111.177 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 59.77 17.1 6.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.888 2.075 . . . . 0.0 111.762 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.41 -4.88 67.25 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 126.682 2.087 . . . . 0.0 112.151 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -81.83 -12.67 58.4 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.8 m -120.4 102.91 8.79 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.0 mt -93.02 110.04 21.51 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 103.17 -2.9 . . . . 0.0 103.17 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -92.67 99.36 12.07 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.8 mt -98.04 134.63 35.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 123.372 0.669 . . . . 0.0 109.43 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -132.51 124.47 28.56 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.629 1.171 . . . . 0.0 108.323 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -89.96 163.41 14.96 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -118.88 -53.19 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.684 1.594 . . . . 0.0 110.534 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -178.715 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -152.9 67.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -151.61 148.9 28.53 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.0 m -124.75 174.33 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 124.851 1.26 . . . . 0.0 110.494 -178.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m -128.44 94.8 3.97 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.7 mt -93.33 131.06 41.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -104.33 124.71 49.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.39 110.45 22.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -86.84 135.1 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mp -125.56 135.24 52.02 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.099 0.959 . . . . 0.0 111.297 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mp -129.73 119.66 48.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 126.795 2.038 . . . . 0.0 106.712 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -102.18 148.05 25.89 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.6 -12.84 61.33 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.645 0.259 . . . . 0.0 110.62 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -75.45 25.59 0.1 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.425 2.29 . . . . 0.0 109.437 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.97 32.73 35.13 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 120.466 -1.396 . . . . 0.0 111.913 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -118.93 126.8 52.62 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.119 1.367 . . . . 0.0 110.511 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 p -110.35 138.01 47.31 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 126.261 1.824 . . . . 0.0 108.624 -179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -153.25 166.17 33.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.978 1.311 . . . . 0.0 109.058 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -146.68 152.26 38.57 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 120.269 -1.52 . . . . 0.0 107.769 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.73 147.13 51.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 106.309 -1.738 . . . . 0.0 106.309 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -132.09 136.77 47.4 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -125.63 163.61 22.39 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.834 1.254 . . . . 0.0 109.727 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -132.53 156.6 46.52 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 125.237 1.415 . . . . 0.0 107.808 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.0 -166.39 22.08 Favored Glycine 0 C--O 1.237 0.343 0 N-CA-C 108.704 -1.758 . . . . 0.0 108.704 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.7 p -68.59 161.42 28.05 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -51.87 -49.76 62.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.646 0.778 . . . . 0.0 112.769 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -71.14 -25.69 62.68 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 117.994 -1.003 . . . . 0.0 112.687 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -84.69 -23.11 29.54 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 120.485 1.493 . . . . 0.0 110.217 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.11 -18.38 55.75 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.012 -1.106 . . . . 0.0 108.012 177.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.9 m -86.6 -41.48 14.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.1 p -68.74 -25.4 64.72 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 119.418 1.008 . . . . 0.0 110.561 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -78.18 -48.48 15.77 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.451 1.1 . . . . 0.0 108.321 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.4 -44.9 92.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.332 0.653 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -73.58 -30.94 63.32 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 118.976 -0.535 . . . . 0.0 110.717 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.6 -28.99 62.12 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.287 0.949 . . . . 0.0 108.841 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -68.87 -27.59 65.94 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.714 -1.241 . . . . 0.0 110.151 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.02 -28.38 61.41 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.992 -1.068 . . . . 0.0 108.822 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -62.95 -36.81 84.68 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.25 1.42 . . . . 0.0 111.204 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 t -79.33 8.76 5.54 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.146 -0.971 . . . . 0.0 111.296 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.8 mt -129.19 -18.24 3.71 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.277 1.431 . . . . 0.0 110.768 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -67.64 -53.79 25.03 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 126.491 1.916 . . . . 0.0 110.232 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -63.88 -14.85 56.74 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.562 0.745 . . . . 0.0 111.9 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -91.79 -49.64 6.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.823 1.249 . . . . 0.0 109.379 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -97.65 -76.32 0.52 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.695 1.198 . . . . 0.0 113.669 -177.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.51 -176.1 47.89 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 126.611 2.053 . . . . 0.0 108.574 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -61.8 169.46 2.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 122.085 0.945 . . . . 0.0 111.425 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -145.54 166.43 25.72 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.74 0.816 . . . . 0.0 110.179 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.6 p -130.7 158.83 39.02 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.4 p -138.43 116.45 12.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.07 108.47 19.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 104.304 -2.48 . . . . 0.0 104.304 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.7 t -80.93 131.47 33.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 124.574 1.15 . . . . 0.0 108.41 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.96 172.89 12.06 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.585 1.154 . . . . 0.0 109.94 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 48.2 50.03 16.82 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 126.016 1.726 . . . . 0.0 109.806 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 59.2 9.6 1.4 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.881 2.073 . . . . 0.0 113.527 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.92 -8.23 16.62 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 126.367 1.937 . . . . 0.0 113.319 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -74.62 -5.97 45.98 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.121 1.461 . . . . 0.0 111.625 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.5 m -129.39 120.32 25.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 127.761 2.424 . . . . 0.0 105.956 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.8 mt -125.98 110.0 13.09 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -100.43 94.59 6.24 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.668 0.787 . . . . 0.0 109.43 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -85.59 137.41 20.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 124.363 1.065 . . . . 0.0 109.286 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -134.96 120.5 19.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.421 1.088 . . . . 0.0 108.264 177.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -81.57 156.87 24.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.121 0.873 . . . . 0.0 109.249 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.15 -23.75 35.4 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 -179.291 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ttt . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -106.07 170.89 7.65 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.76 153.45 51.71 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.54 173.69 14.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 123.775 0.83 . . . . 0.0 110.124 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.4 m -124.29 132.11 53.55 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.6 mt -123.92 130.99 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -110.26 124.52 51.77 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.25 116.5 32.08 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -90.97 125.51 35.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 104.173 -2.529 . . . . 0.0 104.173 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mp -119.18 134.45 55.2 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.053 0.842 . . . . 0.0 109.276 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.06 117.55 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 125.217 1.407 . . . . 0.0 108.924 -178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -88.85 139.41 30.49 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.51 -12.86 48.75 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.706 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -62.62 -21.61 65.79 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 127.196 2.198 . . . . 0.0 111.046 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.62 19.19 9.42 Favored Glycine 0 C--N 1.34 0.762 0 CA-C-N 118.696 0.68 . . . . 0.0 112.469 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 p -133.71 141.91 47.75 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.389 1.076 . . . . 0.0 108.899 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -112.46 164.95 12.68 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -143.34 166.19 25.44 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 125.235 1.414 . . . . 0.0 109.188 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 p -126.89 152.36 47.19 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 124.756 1.222 . . . . 0.0 108.49 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.43 149.12 20.34 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -146.34 152.62 39.41 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.633 -0.876 . . . . 0.0 108.633 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.75 142.92 36.76 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -131.87 128.57 38.92 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.831 1.652 . . . . 0.0 108.23 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.54 -156.56 27.55 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.3 p -69.59 163.22 25.98 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 121.231 0.539 . . . . 0.0 109.626 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -50.55 -52.04 42.45 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 124.638 1.175 . . . . 0.0 113.344 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.36 -26.68 52.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.592 0.633 . . . . 0.0 111.331 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -72.25 -23.81 61.27 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 118.703 0.683 . . . . 0.0 112.087 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.32 -17.59 23.41 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 72.4 m -81.16 -42.52 20.73 Favored 'General case' 0 C--N 1.341 0.231 0 O-C-N 121.281 -0.887 . . . . 0.0 109.408 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -67.89 -25.37 65.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.721 -0.792 . . . . 0.0 109.099 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -79.11 -43.55 23.85 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.93 -25.26 60.67 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.155 -0.926 . . . . 0.0 113.123 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -101.87 -30.8 11.05 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.402 1.001 . . . . 0.0 109.805 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.39 73.44 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.53 1.059 . . . . 0.0 109.847 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -62.76 -38.39 90.41 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.116 0.966 . . . . 0.0 109.012 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -44.02 54.45 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.971 0.908 . . . . 0.0 108.937 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -55.01 -36.71 65.74 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.753 1.621 . . . . 0.0 111.72 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -12.71 60.94 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.347 -0.846 . . . . 0.0 111.796 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.5 mt -113.27 -11.47 13.21 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.064 1.746 . . . . 0.0 110.287 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.37 -36.82 85.39 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 126.894 2.078 . . . . 0.0 108.956 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.31 -21.8 64.75 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.555 -0.715 . . . . 0.0 110.033 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.15 -1.19 23.98 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.498 1.519 . . . . 0.0 114.614 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -145.52 -8.84 0.57 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 117.541 -1.219 . . . . 0.0 114.127 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.08 -167.19 39.52 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 120.934 1.697 . . . . 0.0 111.021 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -55.25 157.31 3.65 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.014 1.726 . . . . 0.0 112.714 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -150.33 167.0 28.32 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 125.713 1.605 . . . . 0.0 107.94 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.27 158.36 39.98 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 124.379 1.072 . . . . 0.0 108.371 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.44 141.69 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -118.24 129.74 55.65 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.8 t -95.09 128.89 45.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 C-N-CA 123.853 0.861 . . . . 0.0 110.562 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.43 172.68 12.37 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.035 1.334 . . . . 0.0 108.616 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 51.19 44.53 28.7 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.529 1.532 . . . . 0.0 111.631 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 58.84 15.66 3.99 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.447 1.899 . . . . 0.0 112.379 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.44 -10.37 28.46 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-O 118.364 -1.242 . . . . 0.0 113.017 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -74.68 -15.78 60.79 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 120.082 1.941 . . . . 0.0 111.527 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.5 m -122.6 120.4 33.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.2 mt -120.25 110.25 16.36 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 104.025 -2.583 . . . . 0.0 104.025 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -95.99 101.77 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.3 mt -100.04 139.91 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 125.007 1.323 . . . . 0.0 107.865 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.21 125.29 27.49 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -84.79 149.81 25.48 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.71 -29.43 19.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 C-N-CA 126.685 2.088 . . . . 0.0 110.089 -179.067 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 119.196 -0.43 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.46 157.35 36.05 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.126 0.97 . . . . 0.0 110.996 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.98 167.1 17.23 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.911 0.862 . . . . 0.0 111.98 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -131.95 132.22 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 N-CA-C 102.715 -3.068 . . . . 0.0 102.715 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.2 m -100.32 98.02 8.72 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mt -98.24 111.45 27.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -92.7 131.08 38.09 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.221 1.408 . . . . 0.0 108.492 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.41 115.94 28.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.972 1.709 . . . . 0.0 108.334 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.35 133.92 35.03 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.9 mt -124.75 129.53 50.66 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -127.89 112.64 28.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -92.34 148.84 21.81 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.57 -20.89 66.12 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -76.81 -7.58 55.71 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 118.316 -0.85 . . . . 0.0 112.479 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.66 72.79 1.28 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -160.58 122.25 3.09 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.409 1.884 . . . . 0.0 106.913 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.9 p -114.44 140.79 48.41 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.381 0.537 . . . . 0.0 110.487 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -142.99 166.83 23.56 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.324 1.849 . . . . 0.0 110.798 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -136.83 135.45 37.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.453 1.901 . . . . 0.0 106.255 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.97 150.2 52.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.341 -2.466 . . . . 0.0 104.341 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -144.18 132.37 21.8 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -115.59 156.71 25.3 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.048 1.339 . . . . 0.0 109.766 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -132.39 139.26 48.01 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.23 -156.74 27.32 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 107.465 -2.254 . . . . 0.0 107.465 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.498 ' H ' ' HB3' ' A' ' 28' ' ' GLU . 28.0 p -89.31 176.09 7.08 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.848 1.259 . . . . 0.0 109.122 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -63.72 -17.38 62.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.227 0.611 . . . . 0.0 110.623 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -105.09 -16.12 14.89 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.999 1.32 . . . . 0.0 111.654 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HB3' ' H ' ' A' ' 25' ' ' THR . 26.7 tt0 -104.1 -20.9 13.68 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 117.343 -1.313 . . . . 0.0 113.456 -177.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.17 -13.22 19.85 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.59 1.541 . . . . 0.0 114.49 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -92.74 -43.01 9.27 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.228 1.377 . . . . 0.0 113.847 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -23.89 61.86 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -64.86 -37.62 88.24 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.57 -37.29 62.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 118.911 -0.566 . . . . 0.0 110.373 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -72.22 -31.05 65.5 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.273 0.942 . . . . 0.0 108.717 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.88 -28.91 62.78 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -72.44 -33.03 66.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.58 -30.28 61.65 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.871 -1.143 . . . . 0.0 110.055 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -58.63 -36.84 74.72 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.869 0.868 . . . . 0.0 111.992 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 t -71.31 -18.55 62.4 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.838 -1.164 . . . . 0.0 110.495 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.3 mt -96.44 -28.92 14.21 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 124.811 1.244 . . . . 0.0 110.68 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.41 -41.03 96.5 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.18 1.392 . . . . 0.0 109.899 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.52 2.27 1.36 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.219 1.807 . . . . 0.0 113.162 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -140.19 -30.56 0.67 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 120.939 -1.1 . . . . 0.0 113.275 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -95.74 -55.04 3.14 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 124.018 0.927 . . . . 0.0 111.695 -179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.18 -177.81 26.19 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.22 165.94 12.9 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -146.08 159.74 42.86 Favored 'General case' 0 CA--C 1.517 -0.312 0 O-C-N 121.087 -1.008 . . . . 0.0 111.666 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.0 p -115.2 162.13 17.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.8 p -146.11 135.0 16.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.856 0.836 . . . . 0.0 109.186 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -111.29 109.02 18.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.8 t -87.42 123.93 40.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 125.508 1.523 . . . . 0.0 108.163 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.29 -175.78 4.67 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 124.876 1.27 . . . . 0.0 110.028 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.6 t0 52.79 53.89 11.42 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.703 1.601 . . . . 0.0 110.729 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 58.77 16.97 4.81 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.251 1.02 . . . . 0.0 111.356 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.63 -1.97 64.33 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.516 1.531 . . . . 0.0 112.299 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -78.05 -5.43 51.4 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.4 1.6 . . . . 0.0 112.282 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.6 m -128.63 122.87 31.85 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -117.48 111.2 18.95 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -102.31 104.71 15.25 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 24.4 mt -97.5 141.38 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 124.656 1.182 . . . . 0.0 108.262 -178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -134.14 113.89 12.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -75.36 133.27 41.26 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.83 80.05 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.312 1.045 . . . . 0.0 109.758 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 116.863 -2.076 . . . . 0.0 109.767 179.809 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -52.41 158.99 1.08 Allowed 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.458 1.503 . . . . 0.0 111.027 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -67.3 170.19 7.64 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.981 0.913 . . . . 0.0 111.221 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.1 m -133.74 156.32 41.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 123.586 0.754 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -114.45 102.67 10.3 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -103.75 127.24 58.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -98.51 131.74 44.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.5 1.52 . . . . 0.0 112.204 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.28 110.94 20.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 125.353 1.461 . . . . 0.0 108.223 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -92.66 132.17 37.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mp -127.92 135.96 50.7 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.737 0.815 . . . . 0.0 109.639 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mp -127.07 125.9 67.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.6 141.65 32.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 125.18 1.392 . . . . 0.0 107.426 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.58 65.9 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.87 0.868 . . . . 0.0 110.136 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -60.03 -23.01 63.36 Favored 'General case' 0 C--N 1.342 0.25 0 C-N-CA 124.647 1.179 . . . . 0.0 111.36 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.03 47.33 1.26 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -158.45 157.49 32.32 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 125.023 1.329 . . . . 0.0 107.441 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p -130.08 173.26 10.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.946 0.898 . . . . 0.0 109.922 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -140.7 153.76 46.07 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 121.37 -0.831 . . . . 0.0 109.481 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -119.64 129.41 54.58 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.48 141.93 26.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -142.07 138.61 31.87 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -127.25 148.5 50.21 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 126.048 1.739 . . . . 0.0 108.993 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -122.94 149.41 44.3 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.638 1.175 . . . . 0.0 108.379 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.62 -161.08 28.35 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 p -70.04 165.88 20.93 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -61.42 -20.46 63.1 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.901 -1.124 . . . . 0.0 110.905 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -94.34 -11.84 29.2 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.861 1.664 . . . . 0.0 112.379 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -113.74 -23.32 9.75 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.81 -8.98 59.74 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.296 -1.502 . . . . 0.0 110.804 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -103.13 -41.55 6.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.596 1.559 . . . . 0.0 109.746 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -68.34 -25.0 64.88 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.398 0.999 . . . . 0.0 110.909 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.71 -37.98 82.99 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.68 -43.42 89.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.889 -0.507 . . . . 0.0 110.176 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -72.38 -29.9 64.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.854 0.752 . . . . 0.0 109.804 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.57 68.42 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -76.0 -31.86 59.14 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.086 -1.008 . . . . 0.0 109.359 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.21 62.42 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.736 -1.228 . . . . 0.0 109.892 178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.51 -38.33 74.27 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.554 1.541 . . . . 0.0 113.01 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -69.14 -23.81 64.02 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.433 0.56 . . . . 0.0 109.89 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -95.92 -6.36 39.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.648 1.579 . . . . 0.0 112.129 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -69.62 -53.44 18.74 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.222 1.009 . . . . 0.0 108.439 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.01 -21.43 66.5 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.501 1.12 . . . . 0.0 112.044 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -87.55 -21.87 25.15 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.388 1.075 . . . . 0.0 112.578 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -131.85 -70.89 0.56 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-N 119.157 0.889 . . . . 0.0 113.144 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.57 -176.05 46.21 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.74 163.07 7.77 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.658 0.783 . . . . 0.0 111.2 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -150.33 170.08 19.87 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.471 -0.768 . . . . 0.0 112.311 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.6 p -135.47 163.39 30.16 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.224 1.81 . . . . 0.0 108.082 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 p -145.04 146.24 20.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 O-C-N 121.441 -0.787 . . . . 0.0 110.842 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -126.67 114.42 18.0 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 126.485 1.914 . . . . 0.0 108.83 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -81.04 133.79 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 124.751 1.221 . . . . 0.0 109.763 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.38 178.95 7.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.188 1.395 . . . . 0.0 110.184 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.7 t0 47.09 63.03 2.1 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 127.15 2.18 . . . . 0.0 112.965 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 57.24 6.01 0.32 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.133 1.373 . . . . 0.0 113.15 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.32 0.17 33.11 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.506 1.527 . . . . 0.0 111.145 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -81.44 -7.89 59.65 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.923 1.862 . . . . 0.0 112.063 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -127.69 132.97 49.59 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.541 1.136 . . . . 0.0 108.843 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -126.09 110.42 13.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 178.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -98.82 95.07 6.95 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.8 mt -90.18 140.38 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 126.026 1.731 . . . . 0.0 108.391 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -134.31 124.58 26.06 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.208 1.803 . . . . 0.0 109.729 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -86.01 141.7 29.29 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.992 1.269 . . . . 0.0 108.676 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.41 -46.46 69.9 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.552 0 C-N-CA 124.645 1.117 . . . . 0.0 111.874 179.242 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.0 mtt . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -140.52 109.55 6.1 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 103.195 -2.891 . . . . 0.0 103.195 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.508 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 25.8 mp0 -50.5 135.05 23.21 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 125.86 1.664 . . . . 0.0 110.496 -177.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.2 m -109.89 174.97 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 126.602 1.961 . . . . 0.0 111.221 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -132.92 124.09 27.19 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 105.007 -2.219 . . . . 0.0 105.007 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.9 mt -126.06 118.51 51.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -92.8 109.36 20.79 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 121.246 -0.909 . . . . 0.0 108.723 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.55 117.39 24.42 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -96.99 131.65 43.59 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mp -127.28 135.17 50.21 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 125.201 1.4 . . . . 0.0 110.374 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.3 mt -121.72 116.19 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 125.592 1.557 . . . . 0.0 108.015 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -100.77 145.32 28.66 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.95 -12.09 60.05 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -64.29 -4.72 4.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.71 2.004 . . . . 0.0 111.005 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.24 36.23 10.09 Favored Glycine 0 C--N 1.338 0.676 0 CA-C-N 119.004 0.82 . . . . 0.0 111.553 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -152.06 146.48 25.57 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 118.002 0.901 . . . . 0.0 109.529 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -112.64 140.25 47.56 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.481 1.513 . . . . 0.0 107.328 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -129.74 155.9 45.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.8 m -142.9 144.38 32.41 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.91 156.14 49.49 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -129.01 111.47 13.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.75 152.24 21.47 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.004 1.322 . . . . 0.0 109.391 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -132.97 166.52 22.18 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.732 1.613 . . . . 0.0 109.404 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.69 -162.13 20.88 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 107.771 -2.131 . . . . 0.0 107.771 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 p -75.35 168.06 20.71 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.516 1.658 . . . . 0.0 107.833 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -46.86 -50.24 18.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.128 1.371 . . . . 0.0 114.177 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -76.17 -26.99 56.77 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 117.899 -1.048 . . . . 0.0 113.54 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -86.41 -23.56 26.05 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.606 1.093 . . . . 0.0 110.965 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.3 -17.41 49.38 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -92.02 -40.48 11.07 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.692 1.197 . . . . 0.0 108.369 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -67.73 -25.38 65.62 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.293 -0.88 . . . . 0.0 112.197 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -74.75 -27.85 60.52 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.842 -0.536 . . . . 0.0 109.604 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.68 -45.2 72.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -71.46 -31.4 67.12 Favored 'General case' 0 C--N 1.345 0.39 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.54 81.23 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 120.114 1.325 . . . . 0.0 111.176 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -71.79 -39.55 69.84 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 121.308 -0.87 . . . . 0.0 111.055 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.73 -32.47 62.14 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.247 0.93 . . . . 0.0 110.492 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -59.58 -29.26 67.84 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 127.892 2.477 . . . . 0.0 113.036 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 t -92.15 0.55 57.46 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.651 0.78 . . . . 0.0 111.152 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -116.42 2.5 13.16 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 125.218 1.407 . . . . 0.0 112.746 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -68.58 -41.48 79.6 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.982 0.81 . . . . 0.0 109.51 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 18.9 mp0 -68.95 -21.88 64.16 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.099 -1.0 . . . . 0.0 110.465 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -86.32 -11.31 52.49 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 126.227 1.811 . . . . 0.0 110.845 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -140.8 -89.19 0.16 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.284 1.034 . . . . 0.0 108.388 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.02 -172.54 45.38 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 107.628 -2.189 . . . . 0.0 107.628 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.63 162.16 13.53 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.756 0.789 . . . . 0.0 110.814 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -141.11 170.12 16.32 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.883 1.273 . . . . 0.0 111.046 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 p -125.75 155.02 41.65 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 127.787 2.435 . . . . 0.0 106.452 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.83 135.23 45.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.807 0.813 . . . . 0.0 110.854 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.45 117.54 25.38 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.8 t -92.51 131.71 38.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 C-N-CA 124.879 1.272 . . . . 0.0 108.08 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.98 178.64 7.38 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 125.632 1.573 . . . . 0.0 110.096 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t70 51.89 53.73 12.1 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.488 1.515 . . . . 0.0 111.357 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 63.89 -7.26 0.21 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.047 1.739 . . . . 0.0 113.451 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.09 -5.64 6.04 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 126.955 2.216 . . . . 0.0 111.445 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -80.57 -8.78 59.72 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.839 1.255 . . . . 0.0 113.497 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.5 m -124.54 124.74 42.92 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.8 mt -126.02 118.87 26.24 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 126.401 1.88 . . . . 0.0 106.179 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -106.48 103.85 13.41 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.2 mt -99.0 111.24 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 104.396 -2.446 . . . . 0.0 104.396 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -112.62 117.97 33.77 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -82.21 129.14 34.76 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.32 -18.41 65.16 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.8 -2.111 . . . . 0.0 110.175 -179.025 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 117.963 -1.018 . . . . 0.0 112.603 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.39 121.58 14.68 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 120.337 1.426 . . . . 0.0 107.458 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -55.34 157.2 3.82 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.484 1.114 . . . . 0.0 112.077 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.7 m -131.1 139.79 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 125.457 1.503 . . . . 0.0 109.859 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 m -90.6 124.56 35.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 29' ' ' ALA . 39.2 mt -126.43 103.7 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -93.24 110.37 21.89 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.43 135.07 34.35 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 124.184 0.994 . . . . 0.0 110.152 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -102.68 125.92 49.59 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 11' ' ' ILE . 5.0 mp -127.27 124.63 39.27 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.603 HG13 HG22 ' A' ' 17' ' ' THR . 1.5 mp -119.59 121.55 66.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 C-N-CA 125.64 1.576 . . . . 0.0 108.383 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -97.69 137.52 36.47 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.73 -14.47 52.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.109 1.364 . . . . 0.0 111.67 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -62.06 -19.14 62.6 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 127.488 2.315 . . . . 0.0 111.519 178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.51 47.35 1.06 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -147.67 159.27 43.98 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 120.773 -1.428 . . . . 0.0 110.236 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.603 HG22 HG13 ' A' ' 11' ' ' ILE . 23.4 p -138.14 137.45 37.68 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.348 1.459 . . . . 0.0 107.506 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -134.92 166.29 23.36 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.277 1.031 . . . . 0.0 109.638 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.6 125.24 19.38 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.98 157.91 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.76 145.83 30.08 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.442 -0.786 . . . . 0.0 109.334 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -122.85 153.86 39.05 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 124.966 1.306 . . . . 0.0 110.151 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -133.04 109.51 9.58 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 126.139 1.776 . . . . 0.0 106.27 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.14 -173.6 44.54 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.6 p -72.91 169.06 17.66 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.396 1.098 . . . . 0.0 110.246 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -59.09 -19.17 41.94 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -104.93 -6.3 20.25 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.29 1.036 . . . . 0.0 111.742 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -113.92 -24.18 9.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.524 -178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' HD12 ' A' ' 6' ' ' ILE . . . -83.22 -18.59 38.71 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.77 -1.206 . . . . 0.0 109.752 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.8 m -90.15 -28.23 19.07 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.032 -1.043 . . . . 0.0 108.195 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.0 t -67.45 -26.13 66.24 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -84.64 -41.97 15.83 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.15 62.21 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.498 -0.763 . . . . 0.0 112.636 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -94.73 -30.0 14.5 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.718 1.145 . . . . 0.0 110.771 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.58 -37.33 73.93 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.785 1.175 . . . . 0.0 110.065 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -62.14 -31.87 72.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.752 1.221 . . . . 0.0 110.028 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.36 -27.08 60.51 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.635 -0.666 . . . . 0.0 110.522 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.15 -36.85 80.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.32 1.048 . . . . 0.0 113.193 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -68.63 -26.49 65.37 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.583 0.706 . . . . 0.0 109.931 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.6 mt -86.38 -15.13 41.37 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.548 1.139 . . . . 0.0 110.878 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -67.25 -36.18 81.09 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.315 1.046 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -75.33 -1.6 24.47 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.142 -0.974 . . . . 0.0 111.542 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -117.79 -37.04 3.51 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 125.468 1.507 . . . . 0.0 112.125 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -113.69 -16.76 12.26 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.626 1.17 . . . . 0.0 113.822 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.89 -165.77 32.13 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -54.72 152.59 6.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 122.666 1.222 . . . . 0.0 111.741 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.6 p-90 -141.06 167.48 22.08 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.24 1.416 . . . . 0.0 109.769 -178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.6 p -129.45 161.16 31.02 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.815 1.246 . . . . 0.0 109.259 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -146.05 151.93 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-O 121.472 0.653 . . . . 0.0 109.623 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -126.2 118.7 25.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.8 t -98.53 120.17 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.39 -174.31 4.09 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 48.97 54.17 11.33 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.58 1.152 . . . . 0.0 109.346 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 54.84 9.54 0.3 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.698 1.999 . . . . 0.0 114.235 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.2 -10.04 28.99 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.289 1.423 . . . . 0.0 113.164 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -75.69 -14.47 60.35 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 118.56 1.18 . . . . 0.0 111.341 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 29.9 m -123.72 116.8 23.64 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.5 mt -118.47 110.08 16.99 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -100.85 91.82 4.78 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mt -87.43 128.97 39.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -131.06 120.49 23.49 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -78.35 153.34 31.74 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.453 0.701 . . . . 0.0 109.674 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.88 -44.82 60.85 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.454 0.701 . . . . 0.0 110.864 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 C-N-CA 125.612 1.577 . . . . 0.0 111.594 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 mtp . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -127.52 145.71 50.76 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.176 0.991 . . . . 0.0 108.492 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -123.96 162.42 23.43 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 126.251 1.82 . . . . 0.0 107.308 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.7 m -140.06 162.7 24.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.344 1.058 . . . . 0.0 108.455 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -127.28 95.92 4.42 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.6 mt -93.36 131.56 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 126.846 2.058 . . . . 0.0 109.338 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -101.53 131.48 47.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.7 110.79 23.26 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 126.148 1.779 . . . . 0.0 106.743 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -98.54 124.2 43.16 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -127.17 135.21 50.37 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.38 1.072 . . . . 0.0 112.061 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.36 133.71 63.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 126.933 2.093 . . . . 0.0 108.81 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -113.0 143.22 44.68 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.78 -14.04 49.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.826 1.251 . . . . 0.0 110.903 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -67.0 -19.81 65.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.187 2.195 . . . . 0.0 111.636 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.57 -4.44 37.16 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.934 1.254 . . . . 0.0 112.528 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -99.14 157.16 16.55 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.436 1.095 . . . . 0.0 108.551 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.9 p -138.34 171.03 14.99 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.5 0.667 . . . . 0.0 109.309 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.32 166.12 34.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 121.218 -0.926 . . . . 0.0 109.471 178.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 m -146.45 142.79 28.48 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.14 163.98 32.02 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 178.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -148.28 143.08 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -126.51 148.95 49.63 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.717 1.607 . . . . 0.0 107.888 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.06 113.92 14.53 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.42 -161.42 28.09 Favored Glycine 0 C--O 1.24 0.521 0 CA-C-N 118.573 0.624 . . . . 0.0 111.594 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.2 p -67.16 162.81 21.6 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -64.05 -8.87 13.17 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.312 1.045 . . . . 0.0 112.215 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -115.26 -27.51 7.23 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.981 1.313 . . . . 0.0 111.65 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -81.63 -23.76 36.78 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 119.151 0.887 . . . . 0.0 109.846 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.87 -18.44 32.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.1 m -77.77 -41.73 36.49 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -69.44 -25.79 64.28 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 118.907 -1.117 . . . . 0.0 109.832 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.03 -46.04 31.34 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.59 -41.74 66.91 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.068 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -85.1 -31.2 23.47 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.079 0.854 . . . . 0.0 110.705 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.19 71.16 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.544 1.066 . . . . 0.0 111.181 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -68.55 -35.98 78.17 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 121.306 -0.871 . . . . 0.0 109.254 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -43.2 55.8 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -57.91 -37.08 73.4 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.486 1.114 . . . . 0.0 111.309 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -1.23 23.26 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.171 -0.956 . . . . 0.0 113.307 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.7 mt -126.86 -0.7 6.64 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.631 1.572 . . . . 0.0 110.537 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -61.16 -53.06 61.74 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.9 1.68 . . . . 0.0 109.63 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -49.14 -45.83 44.29 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.477 1.511 . . . . 0.0 113.133 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.77 -17.6 60.61 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 125.136 1.374 . . . . 0.0 114.358 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -117.82 -57.88 2.07 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.78 -168.02 25.41 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 129.198 3.285 . . . . 0.0 106.94 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.71 170.3 2.05 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.707 0.765 . . . . 0.0 111.447 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -149.49 160.82 43.14 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.296 -0.877 . . . . 0.0 110.192 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.0 p -119.37 160.51 22.15 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.421 1.489 . . . . 0.0 108.131 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.2 t -139.75 131.65 33.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.15 123.29 49.26 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -80.16 131.74 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.938 1.295 . . . . 0.0 110.177 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.23 166.45 24.67 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 127.065 2.146 . . . . 0.0 110.105 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 46.21 50.72 11.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.857 2.463 . . . . 0.0 110.867 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 61.81 -6.23 0.13 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.927 2.091 . . . . 0.0 114.489 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.92 -10.75 3.93 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 126.74 2.114 . . . . 0.0 112.383 -178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -77.24 -7.9 56.7 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.8 m -132.46 95.05 3.54 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.1 mt -93.32 110.38 21.91 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -96.83 104.59 16.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mt -95.12 140.79 16.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -132.68 113.13 12.63 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -68.71 155.06 40.79 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.75 -40.6 20.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.11 0.964 . . . . 0.0 111.529 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 C-N-CA 124.604 1.097 . . . . 0.0 111.745 -179.621 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 mmt . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -138.8 156.39 47.38 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.134 1.774 . . . . 0.0 107.185 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.24 169.07 14.16 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.2 m -132.69 158.09 43.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 125.082 1.353 . . . . 0.0 108.727 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 m -114.83 93.34 4.28 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.4 mt -91.07 131.85 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 121.292 -0.88 . . . . 0.0 108.81 -177.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -102.65 131.97 49.07 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.373 1.869 . . . . 0.0 110.345 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.82 118.56 29.3 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -99.36 114.41 27.29 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 103.479 -2.785 . . . . 0.0 103.479 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -103.95 134.56 47.04 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 124.206 0.941 . . . . 0.0 110.174 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.55 133.34 67.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 126.905 2.082 . . . . 0.0 106.988 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -118.47 143.4 46.74 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.016 1.326 . . . . 0.0 107.673 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.43 -12.9 59.6 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.427 0.632 . . . . 0.0 109.75 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.08 -0.29 7.41 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.069 2.147 . . . . 0.0 110.814 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.7 22.49 61.8 Favored Glycine 0 C--N 1.342 0.874 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -114.1 145.61 41.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.846 1.659 . . . . 0.0 108.257 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.4 p -141.68 138.8 32.71 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -147.32 143.11 27.81 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.669 -0.644 . . . . 0.0 110.388 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.3 p -89.05 152.09 21.87 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.65 140.67 20.24 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -140.2 140.4 35.85 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -131.02 138.59 49.71 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 125.726 1.61 . . . . 0.0 107.082 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -124.42 114.23 19.21 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 124.714 1.206 . . . . 0.0 108.469 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.83 -165.5 31.84 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 107.658 -2.177 . . . . 0.0 107.658 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.0 p -67.9 173.93 4.1 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 118.732 1.266 . . . . 0.0 109.363 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -57.69 -16.89 12.21 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.212 1.005 . . . . 0.0 111.091 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -111.44 -27.31 8.67 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 117.149 -1.405 . . . . 0.0 111.734 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.91 -23.84 33.36 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 120.259 1.39 . . . . 0.0 110.708 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.27 -15.39 55.64 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.345 -0.847 . . . . 0.0 109.109 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.7 m -88.08 -41.87 12.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 123.97 0.908 . . . . 0.0 108.74 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -69.11 -25.03 64.21 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 119.599 1.091 . . . . 0.0 112.241 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.79 -30.99 56.69 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.959 0.799 . . . . 0.0 109.116 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.0 82.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -72.41 -30.54 64.73 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.27 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.5 87.67 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.248 -0.907 . . . . 0.0 109.76 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -62.44 -33.78 75.49 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.711 -0.618 . . . . 0.0 109.399 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.21 -40.52 62.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.441 0.697 . . . . 0.0 110.121 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -55.28 -30.73 60.69 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.385 1.074 . . . . 0.0 112.737 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.69 5.79 23.33 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.3 -0.875 . . . . 0.0 111.747 179.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.5 mt -121.22 -30.21 4.36 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.625 1.97 . . . . 0.0 110.321 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -47.12 -49.22 22.45 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 130.616 3.566 . . . . 0.0 114.355 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.42 -39.24 93.97 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.986 0.812 . . . . 0.0 112.654 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -5.67 55.55 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -119.33 -59.05 1.87 Allowed 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 123.478 0.711 . . . . 0.0 110.169 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 135.63 -163.34 24.97 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 125.729 1.633 . . . . 0.0 109.235 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.54 158.6 9.54 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.812 0.845 . . . . 0.0 110.772 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -139.32 168.01 20.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.45 1.1 . . . . 0.0 111.815 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.3 p -130.56 151.65 50.8 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.551 1.54 . . . . 0.0 109.318 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.6 t -142.24 139.84 29.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 124.016 0.926 . . . . 0.0 108.662 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -134.25 111.74 10.5 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.73 134.2 27.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 C-N-CA 123.935 0.894 . . . . 0.0 109.454 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.12 -174.93 4.24 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.664 1.586 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 t0 52.01 45.43 28.32 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.033 1.333 . . . . 0.0 110.313 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 57.23 8.78 0.6 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.174 2.19 . . . . 0.0 112.984 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.93 -3.35 11.71 Favored Glycine 0 CA--C 1.523 0.586 0 C-N-CA 125.854 1.692 . . . . 0.0 112.693 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -89.67 -2.7 58.36 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.782 1.791 . . . . 0.0 112.866 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.7 m -137.14 137.15 38.91 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 119.374 0.988 . . . . 0.0 109.169 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.3 mt -126.37 114.07 17.73 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 125.862 1.665 . . . . 0.0 108.586 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -83.53 97.96 9.3 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 104.202 -2.518 . . . . 0.0 104.202 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.2 mt -110.33 130.71 63.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 119.171 0.896 . . . . 0.0 112.29 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -134.79 142.1 46.6 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.019 0.928 . . . . 0.0 110.407 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -91.83 129.43 37.79 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 103.325 -2.843 . . . . 0.0 103.325 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.43 -24.99 61.67 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 CA-C-O 115.339 -2.923 . . . . 0.0 109.885 -179.425 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -68.33 138.7 55.64 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.56 171.41 14.14 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 125.699 1.6 . . . . 0.0 108.527 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.9 m -143.07 174.37 5.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 126.45 1.9 . . . . 0.0 109.312 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.7 m -127.82 125.89 40.65 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 104.335 -2.469 . . . . 0.0 104.335 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -121.27 121.29 64.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -94.53 131.07 40.64 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.611 1.164 . . . . 0.0 109.939 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.49 115.97 23.84 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.409 1.484 . . . . 0.0 110.086 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -86.5 134.29 33.68 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.5 mt -118.11 129.83 55.77 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.0 mp -131.51 123.39 52.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 127.096 2.158 . . . . 0.0 107.937 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -123.87 139.5 53.91 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.66 -15.09 6.64 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.731 1.612 . . . . 0.0 113.086 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -67.1 -1.73 4.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.266 1.826 . . . . 0.0 111.149 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.91 67.06 1.43 Allowed Glycine 0 C--N 1.341 0.853 0 N-CA-C 109.169 -1.572 . . . . 0.0 109.169 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 p -160.42 139.48 10.61 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 p -131.81 126.78 35.18 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.78 167.35 20.71 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 126.316 1.846 . . . . 0.0 111.688 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.8 p -137.24 136.27 37.95 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.728 1.611 . . . . 0.0 109.434 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.58 145.7 51.94 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.42 112.85 12.5 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 125.346 1.458 . . . . 0.0 107.179 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -107.72 143.63 35.96 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.381 1.472 . . . . 0.0 107.304 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.34 156.12 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.467 1.107 . . . . 0.0 108.766 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.94 -163.9 26.19 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 107.816 -2.114 . . . . 0.0 107.816 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.432 ' HG1' ' CD ' ' A' ' 28' ' ' GLU . 50.6 p -67.72 162.44 23.79 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 178.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -50.59 -44.55 56.9 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 120.906 -1.121 . . . . 0.0 112.512 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -73.05 -25.27 60.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.467 0.707 . . . . 0.0 112.553 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.432 ' CD ' ' HG1' ' A' ' 25' ' ' THR . 77.0 mt-10 -88.82 -23.84 22.73 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.186 0.903 . . . . 0.0 111.603 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.86 -17.47 35.53 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.81 -0.556 . . . . 0.0 110.281 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.2 m -89.84 -42.06 11.47 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.0 t -72.67 -25.33 61.22 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-O 118.086 -0.959 . . . . 0.0 111.348 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -68.32 -40.16 81.76 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 120.13 1.332 . . . . 0.0 108.809 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.92 81.83 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.006 0.922 . . . . 0.0 111.635 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -72.3 -30.24 64.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.806 0.73 . . . . 0.0 110.385 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.77 -35.62 64.99 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -66.39 -39.82 89.29 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 120.899 -1.126 . . . . 0.0 109.304 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.54 68.83 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.42 -0.8 . . . . 0.0 110.842 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -62.29 -37.75 86.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.845 0.858 . . . . 0.0 111.958 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -72.38 -16.45 61.86 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 120.956 -1.09 . . . . 0.0 111.677 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.9 mt -96.18 -7.61 35.3 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.643 0.777 . . . . 0.0 110.788 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.57 -47.48 72.65 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.032 1.333 . . . . 0.0 108.036 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.3 -22.02 65.7 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.673 1.589 . . . . 0.0 112.156 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -105.0 -18.23 14.23 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.294 1.038 . . . . 0.0 113.419 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -127.28 -44.97 1.55 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.105 1.32 . . . . 0.0 114.116 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.65 -174.29 23.1 Favored Glycine 0 C--N 1.333 0.384 0 CA-C-N 120.2 1.364 . . . . 0.0 112.27 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -62.38 159.3 15.63 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.811 0.815 . . . . 0.0 108.933 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -147.57 162.43 39.12 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.177 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.6 p -127.96 164.36 22.47 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.365 1.866 . . . . 0.0 107.28 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.4 p -145.27 131.58 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.869 0.843 . . . . 0.0 109.234 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -112.88 116.73 30.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.7 t -82.13 134.88 26.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.39 174.34 10.73 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.327 1.051 . . . . 0.0 109.68 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 36.12 67.93 0.27 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.667 2.787 . . . . 0.0 111.799 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 67.12 -27.33 0.13 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 129.527 3.131 . . . . 0.0 113.508 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 140.34 -3.25 2.4 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 128.958 3.17 . . . . 0.0 111.377 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -72.67 -16.18 61.69 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.148 1.779 . . . . 0.0 113.523 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -130.26 125.71 35.49 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.5 mt -113.63 131.51 56.1 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 124.528 1.131 . . . . 0.0 109.184 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -108.7 91.61 3.72 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.1 mt -90.82 140.17 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -134.64 123.19 23.37 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.17 0.988 . . . . 0.0 108.631 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -89.29 144.64 25.94 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.13 88.89 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.484 1.114 . . . . 0.0 111.247 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 117.385 -1.786 . . . . 0.0 111.71 179.328 . . . . . . . . 0 0 . 1 stop_ save_