data_2hh8_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 2hh8 _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 ' 7' ' ' ASP . . . . . 0.555 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 21.8 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.944 0.402 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -65.47 -26.91 68.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.584 -176.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.555 ' HB ' ' OD2' ' A' ' 7' ' ' ASP . 72.2 t -61.15 -37.58 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.468 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 7' ' ' ASP . 58.3 t -62.39 -46.14 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.631 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.467 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.2 mp -58.2 -51.51 70.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.711 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -60.83 -47.32 86.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.251 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.509 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 22.0 ttpp -60.21 -44.57 95.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.759 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -59.66 -36.65 76.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.637 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 11' ' ' ILE . 72.7 mt -60.2 -46.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 109.954 176.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.593 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 75.5 m-85 -69.62 -40.18 76.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.219 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.509 ' OD2' ' HG2' ' A' ' 13' ' ' LYS . 6.0 m-20 -54.81 -41.87 71.17 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.95 0.405 . . . . 0.0 110.966 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -76.24 -51.16 12.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.863 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -61.5 -27.24 41.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 16' ' ' PHE . 19.3 mtm180 -58.16 -31.67 67.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.67 0.271 . . . . 0.0 111.614 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -117.9 -26.25 6.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.011 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.32 -40.75 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 92' ' ' THR . 64.3 mt 71.48 13.79 6.42 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -77.54 124.36 27.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.079 174.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -101.54 -21.08 14.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.18 -52.78 44.83 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.75 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -68.45 -36.46 79.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.582 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 56.4 t80 -58.55 -58.98 6.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.87 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -68.36 -30.78 69.8 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 34' ' ' ARG . 24.0 t -62.78 -51.24 67.87 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -69.39 -26.88 64.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.82 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 29.9 mt -59.34 -58.81 6.97 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.482 174.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -69.63 -20.24 63.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.447 . . . . 0.0 110.649 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 30' ' ' SER . 29.7 ttp85 -89.9 -5.8 56.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.85 0.357 . . . . 0.0 111.382 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -130.63 -58.32 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.523 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.406 ' ND2' ' HD2' ' A' ' 40' ' ' TYR . 33.1 t30 -83.56 90.28 7.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.31 0.576 . . . . 0.0 109.896 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.745 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 13.5 t -86.3 -5.82 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.607 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.82 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 52.5 m -117.01 -91.74 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.722 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 9.8 p-80 -161.25 144.41 12.69 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.749 0.309 . . . . 0.0 111.812 -175.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.486 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 50.0 p90 -117.64 136.3 53.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 173.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.498 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 48.8 mt -101.81 103.34 14.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.827 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.915 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -93.01 117.47 30.1 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.89 -176.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -97.69 106.44 18.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.715 0.293 . . . . 0.0 110.953 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -69.09 -8.83 48.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 0.0 110.842 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' HA ' HG22 ' A' ' 70' ' ' VAL . . . -76.67 -28.88 56.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.353 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.611 HG21 HG12 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -131.3 -1.18 4.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.596 -175.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 61.11 23.16 13.38 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.784 0.802 . . . . 0.0 109.564 -173.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -99.62 138.62 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.189 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.7 t -124.41 128.61 73.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.165 -174.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.498 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 12.2 m-70 -99.53 89.82 4.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.005 175.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 5.0 mp -85.19 98.7 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.857 0.361 . . . . 0.0 110.108 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.455 ' O ' ' HB2' ' A' ' 38' ' ' SER . 39.2 t -88.05 106.11 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.1 mt -70.37 -173.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.611 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.745 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 11.0 ttpp -47.27 -63.67 0.98 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.489 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -160.15 21.46 0.16 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.2 -73.91 0.44 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.489 -170.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -163.25 176.78 9.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.4 m -104.18 124.25 48.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.874 0.369 . . . . 0.0 110.172 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.552 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 21.9 t -95.41 127.19 47.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 60.7 tp -113.21 113.89 25.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.664 0.269 . . . . 0.0 110.47 -177.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.5 HD21 HG12 ' A' ' 9' ' ' VAL . 27.3 mt -96.78 146.67 24.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.156 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.016 175.927 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.611 HG12 HG21 ' A' ' 46' ' ' THR . 40.0 mt . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 121.203 0.525 . . . . 0.0 111.683 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.587 HG23 HG21 ' A' ' 67' ' ' ILE . 37.7 t 66.71 69.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.467 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -115.79 10.42 15.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.751 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.505 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 6.3 t -115.34 147.34 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.882 -174.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 37.0 mtpt -118.47 139.87 50.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -77.94 76.18 4.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.354 0.597 . . . . 0.0 109.941 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.3 m -139.11 78.5 1.68 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.653 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.577 ' HE2' HD22 ' A' ' 127' ' ' LEU . 13.3 ptmm? -75.51 105.55 6.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.253 -171.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -132.44 134.91 45.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.907 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -84.03 -28.9 27.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.167 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.45 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 65.8 t-80 -74.3 -37.68 63.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.7 tp -59.06 -32.08 69.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.945 0.402 . . . . 0.0 110.305 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.44 -52.62 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.524 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -67.59 -31.37 71.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.705 -176.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.3 m -67.63 -36.03 80.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.126 0.488 . . . . 0.0 110.365 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.562 HG21 ' CD1' ' A' ' 96' ' ' TYR . 37.6 m -73.88 -38.42 64.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.408 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 11.6 p -69.92 -32.81 71.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.347 . . . . 0.0 110.42 177.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.67 -37.31 87.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.783 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.686 ' HE2' HG23 ' A' ' 91' ' ' ILE . 77.7 tttt -67.05 -40.24 87.08 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.262 0.554 . . . . 0.0 109.868 177.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 90' ' ' GLU . 32.4 tp -66.04 -37.79 86.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.427 177.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -57.75 -44.9 86.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.264 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.3 m -78.25 -70.26 0.5 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.519 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 4.1 mmp_? -100.34 -14.69 18.28 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -172.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 86' ' ' LEU . 46.9 mt-10 70.26 -12.52 0.5 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.255 0.622 . . . . 0.0 111.981 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.686 HG23 ' HE2' ' A' ' 85' ' ' LYS . 6.5 pt 35.35 -103.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.538 1.135 . . . . 0.0 113.518 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.5 HG21 ' HG2' ' A' ' 94' ' ' GLN . 8.1 m -154.7 138.71 16.4 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.569 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 72.8 t80 -61.95 -30.93 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 111.372 -173.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 4.8 pt20 -67.66 -41.36 83.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.919 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.73 -38.16 76.75 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.973 0.416 . . . . 0.0 110.036 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.562 ' CD1' HG21 ' A' ' 82' ' ' THR . 69.0 t80 -52.47 -44.68 65.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.405 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 97' ' ' ARG . 46.6 mtm180 -79.7 -21.34 44.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.809 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 18.4 mmm180 -67.12 -43.83 81.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.11 -34.94 75.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.56 -38.89 90.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.362 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 70' ' ' VAL . . . -65.56 -30.05 70.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.188 0.518 . . . . 0.0 110.372 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -76.78 -15.24 59.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.114 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.548 ' O ' ' HA ' ' A' ' 74' ' ' LYS . . . -94.1 4.92 53.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.213 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 81.21 20.75 64.08 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.133 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.1 t -82.96 99.95 6.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.17 0.51 . . . . 0.0 110.264 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -93.85 -30.53 14.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.593 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.689 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 68.5 mtt180 -116.41 100.42 7.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.23 0.538 . . . . 0.0 111.703 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.915 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.4 t90 -86.93 92.49 9.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 172.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.409 HG21 HG23 ' A' ' 41' ' ' ILE . 56.7 t -105.1 97.39 5.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.055 0.455 . . . . 0.0 110.751 -175.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.486 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 82.5 m -92.98 104.76 16.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.045 0.45 . . . . 0.0 110.127 178.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.514 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 59.8 t30 -98.99 84.97 3.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.798 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 43.7 mm -59.24 -34.25 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.549 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.82 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 11.4 t-160 -59.31 -26.31 64.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.246 -177.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 115' ' ' GLN . 18.8 tt0 -114.62 -4.04 12.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.837 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.484 ' HA ' HD11 ' A' ' 132' ' ' ILE . 28.9 mm-40 74.48 21.87 2.22 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.372 0.669 . . . . 0.0 112.359 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -117.91 142.6 47.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.051 0.453 . . . . 0.0 111.615 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.481 ' HB2' HG23 ' A' ' 132' ' ' ILE . 25.2 ttp180 -111.03 107.6 17.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 169.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -95.75 136.58 35.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.217 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -112.33 110.3 20.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.489 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.689 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 93.1 m-85 -111.16 148.4 32.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.086 0.469 . . . . 0.0 111.123 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.6 t -84.84 178.45 7.61 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 170.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -62.65 -33.67 75.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.17 0.51 . . . . 0.0 110.729 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.14 24.83 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.64 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 53.67 16.58 1.01 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.234 1.414 . . . . 0.0 114.159 173.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.7 m -73.67 135.36 43.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.9 tp -69.92 116.3 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.577 HD22 ' HE2' ' A' ' 74' ' ' LYS . 94.5 mt -86.68 -48.24 8.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.019 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -165.26 167.13 18.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.539 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 t -155.93 154.12 30.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -148.11 160.66 42.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.448 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.7 m -81.55 135.32 35.58 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' ' 115' ' ' GLN . 1.3 pp -79.58 75.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -174.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.613 176.61 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 121.455 0.645 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.49 ' OE1' HG22 ' A' ' 59' ' ' VAL . 36.2 tt0 -61.45 -26.49 67.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.682 -175.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.421 HG13 HD23 ' A' ' 61' ' ' LEU . 77.9 t -62.69 -38.24 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.078 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -59.82 -56.64 16.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.179 -177.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.534 HD11 ' H ' ' A' ' 11' ' ' ILE . 3.9 mp -57.61 -51.07 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.132 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.544 ' HB3' HD11 ' A' ' 61' ' ' LEU . 40.4 m-85 -67.78 -40.45 84.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -64.14 -37.61 88.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -66.09 -29.28 69.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.367 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 11' ' ' ILE . 74.3 mt -63.8 -51.26 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' HA ' HG12 ' A' ' 19' ' ' VAL . 44.4 m-85 -66.64 -27.03 67.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.22 -48.58 64.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.234 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 7.9 mptt -75.91 -31.63 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.025 -175.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 16' ' ' PHE . 10.0 p -71.33 -24.44 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.935 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -73.1 -26.67 61.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.766 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.461 ' N ' HD21 ' A' ' 21' ' ' ASN . 0.9 OUTLIER -97.33 -49.78 4.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.185 0.517 . . . . 0.0 110.972 -179.114 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.475 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 33.0 t70 -85.36 -23.62 27.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.553 -173.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt 64.86 27.16 12.9 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.125 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.475 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 52.1 t-20 -86.38 94.26 9.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -69.63 -32.69 71.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.343 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.97 -48.86 78.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.933 0.397 . . . . 0.0 110.433 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -64.58 -40.33 95.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.366 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -57.89 -51.56 69.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.008 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -68.6 -25.01 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.474 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.9 m -66.52 -43.83 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.631 0.253 . . . . 0.0 110.496 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -71.02 -31.16 67.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.683 0.277 . . . . 0.0 110.968 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.97 -39.35 93.35 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.49 -30.38 70.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.235 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -96.26 -6.64 37.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.727 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -130.85 -58.55 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.834 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.46 HD22 ' HA ' ' A' ' 39' ' ' HIS . 6.5 t30 -87.16 88.54 7.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.081 0.467 . . . . 0.0 110.508 -178.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.36 -30.32 15.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.249 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.441 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 22.9 t -95.1 -94.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.46 ' HA ' HD22 ' A' ' 36' ' ' ASN . 51.1 p-80 -164.35 141.86 6.73 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.676 0.274 . . . . 0.0 111.387 -173.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.625 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 42.9 p90 -107.38 139.46 41.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 55.2 mt -101.46 110.94 29.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.111 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.68 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 20.0 t80 -101.75 122.21 43.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.846 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -95.58 112.2 23.97 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.94 149.54 47.01 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.711 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.745 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 72.26 -53.45 0.69 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.956 0.785 . . . . 0.0 111.791 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 m -66.21 -28.74 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.861 0.362 . . . . 0.0 110.795 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 6.2 mm-40 69.01 13.08 8.76 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.919 175.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -83.95 135.38 34.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.087 0.47 . . . . 0.0 110.342 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 6.2 t -120.31 122.21 67.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.025 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.429 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 11.0 m-70 -109.91 92.78 4.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.879 0.371 . . . . 0.0 110.108 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.486 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 56.9 mt -91.25 102.31 13.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.519 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' O ' ' HB3' ' A' ' 38' ' ' SER . 21.3 t -87.28 103.7 13.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 174.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.7 mt -51.93 -55.78 18.17 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.464 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.487 ' HB3' ' OD1' ' A' ' 56' ' ' ASP . 24.8 ttpp -148.94 -64.21 0.23 Allowed 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -167.59 19.21 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.816 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.487 ' OD1' ' HB3' ' A' ' 54' ' ' LYS . 1.3 m-20 -98.05 -73.35 0.62 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.83 -171.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -129.01 154.48 46.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.042 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 30.6 m -116.37 119.64 36.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.324 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.49 HG22 ' OE1' ' A' ' 8' ' ' GLN . 4.3 t -82.04 114.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.659 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 5.3 tt -100.37 113.33 25.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' ' 12' ' ' PHE . 17.3 mt -117.57 164.57 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.436 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 25.4 ttmm . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 169.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.745 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 14.5 tt . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.517 HG13 ' H ' ' A' ' 70' ' ' VAL . 46.7 t 73.01 154.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 O-C-N 123.301 0.376 . . . . 0.0 110.429 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 31.1 t -93.84 -32.62 13.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.529 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 87.9 t 69.88 134.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.671 0.607 . . . . 0.0 110.913 -175.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -135.63 134.34 39.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.076 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -82.63 32.35 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -174.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -84.35 63.81 7.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.486 0.66 . . . . 0.0 109.273 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 103' ' ' ALA . 74.6 mttt -58.86 112.35 1.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.453 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -147.35 126.63 13.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -70.0 -35.61 74.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.461 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.58 -39.72 80.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.177 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.7 -34.69 76.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.73 0.3 . . . . 0.0 110.584 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.48 -46.27 96.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.22 -49.89 76.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.387 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -57.66 -44.5 85.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.31 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -67.22 -41.25 86.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -61.44 -43.29 99.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.395 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -72.88 -29.1 62.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.827 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -57.78 -47.45 82.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.135 0.493 . . . . 0.0 109.751 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.77 -49.15 55.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.095 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -67.36 -17.82 64.89 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.3 t -100.44 -58.29 1.93 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.144 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.69 -23.86 27.24 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -173.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 54.97 74.57 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.203 0.525 . . . . 0.0 110.098 -171.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.5 pt -79.13 -113.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.627 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.724 ' HB ' ' OE1' ' A' ' 95' ' ' GLU . 29.7 m -151.63 155.28 38.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -58.01 -33.27 68.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.93 0.492 . . . . 0.0 111.827 -173.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.38 -57.4 6.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.724 ' OE1' ' HB ' ' A' ' 92' ' ' THR . 23.5 mp0 -60.77 -35.66 76.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.825 -177.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -60.19 -45.01 94.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.529 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -78.7 -23.56 45.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.856 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 98' ' ' ARG . 60.7 mtt180 -63.5 -46.54 85.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.824 0.345 . . . . 0.0 110.349 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.9 -33.33 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.777 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.41 -44.25 88.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.482 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.529 ' HB3' ' HA ' ' A' ' 70' ' ' VAL . . . -68.18 -23.71 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -71.32 -22.84 61.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.41 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.635 ' O ' ' HA ' ' A' ' 74' ' ' LYS . . . -94.58 8.2 43.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.995 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.97 5.22 83.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.988 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.2 103.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.176 0.512 . . . . 0.0 110.711 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -106.79 -30.26 9.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.133 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.974 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 0.9 OUTLIER -106.23 104.14 13.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.478 -177.605 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.68 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.6 t90 -97.25 109.41 22.17 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.14 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.2 105.75 18.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.887 0.375 . . . . 0.0 111.081 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.625 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 57.9 m -92.35 108.95 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.434 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 66.3 t30 -100.95 93.71 5.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.001 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 45.0 mm -66.18 -25.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.108 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -58.02 -23.12 52.95 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.209 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 86.6 mt-10 -130.64 6.34 4.75 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.544 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 56.1 38.12 29.55 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.131 0.491 . . . . 0.0 111.157 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 59.3 mttp -131.79 138.78 48.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.645 -176.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.428 ' HG2' HG21 ' A' ' 110' ' ' THR . 74.5 mtm180 -104.57 114.46 28.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 173.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -95.76 120.04 35.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.615 -176.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -97.08 106.5 18.85 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.537 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.974 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 96.3 m-85 -106.47 151.26 25.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.882 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 t -85.97 176.07 8.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -63.84 -19.88 65.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.22 0.534 . . . . 0.0 110.318 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.74 0.94 28.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.907 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 69.7 15.56 8.05 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.204 0.601 . . . . 0.0 111.399 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.5 m -88.56 136.9 32.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.008 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.406 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . 51.7 tp -88.14 119.81 28.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.858 0.361 . . . . 0.0 110.76 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.58 -45.08 7.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -139.45 133.11 30.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.55 -172.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 55.6 m -108.0 107.14 17.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.521 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -102.67 140.39 37.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.203 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.7 t -105.91 124.19 49.17 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.6 pt -83.14 82.23 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.528 0.68 . . . . 0.0 111.497 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.367 178.185 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 CA--C 1.51 -0.593 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.473 ' O ' ' HD1' ' A' ' 12' ' ' PHE . 35.6 tt0 -61.11 -20.22 62.38 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 172.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.458 HG11 HD21 ' A' ' 61' ' ' LEU . 22.1 t -67.94 -36.89 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.825 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.4 -40.6 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.805 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.8 mp -64.95 -53.69 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.816 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.543 ' HB3' HD12 ' A' ' 61' ' ' LEU . 54.1 m-85 -59.78 -49.47 77.6 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -177.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HZ1' ' CG ' ' A' ' 17' ' ' ASP . 61.5 tttm -62.28 -38.93 91.23 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.612 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -55.67 -38.48 69.68 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.494 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 55.7 mt -60.35 -50.35 80.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.365 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.467 ' HA ' HG13 ' A' ' 19' ' ' VAL . 82.6 m-85 -68.56 -36.35 78.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.628 -177.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.419 ' CG ' ' HZ1' ' A' ' 13' ' ' LYS . 50.8 m-20 -59.04 -41.18 87.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 0.0 111.074 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -76.93 -44.38 31.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.368 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG13 ' HA ' ' A' ' 16' ' ' PHE . 8.6 p -66.81 -25.28 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.603 0.239 . . . . 0.0 111.086 -177.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -52.7 -47.46 67.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.27 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -104.57 -44.34 4.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.654 -172.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 24' ' ' ASN . 32.1 t70 -82.44 -28.28 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.355 -171.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.7 mt 65.13 33.65 9.27 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.366 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.403 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . 13.3 p-10 -79.79 84.94 5.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.749 0.785 . . . . 0.0 110.781 178.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 2.5 m-30 -70.47 -30.55 67.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.953 -175.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.93 -35.24 80.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.494 ' CZ3' ' HA ' ' A' ' 15' ' ' ILE . 43.1 t90 -83.85 -37.99 21.76 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 174.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.453 ' HB3' ' HA ' ' A' ' 25' ' ' TYR . 46.6 t80 -53.67 -56.69 15.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.259 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -71.91 -27.44 62.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.646 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.7 t -64.62 -51.32 63.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -68.42 -38.41 81.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.294 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.424 HD12 ' CZ ' ' A' ' 28' ' ' PHE . 32.7 mt -58.19 -47.57 83.03 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.537 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.562 ' HA ' HG23 ' A' ' 112' ' ' ILE . 33.1 ttpt -70.16 -22.83 62.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 0.0 111.059 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -91.5 -5.82 53.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.129 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 78.9 m-70 -130.51 -57.29 1.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.636 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -86.63 90.24 8.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.816 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.503 HG12 ' HE2' ' A' ' 54' ' ' LYS . 15.7 t -87.62 -7.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.786 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.7 t -110.49 -86.13 0.54 Allowed 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.78 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -173.44 151.0 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -175.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.609 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 40.9 p90 -126.28 144.71 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -107.05 111.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.802 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.803 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.3 t80 -96.74 117.04 30.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.241 178.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -90.34 116.31 28.2 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.24 170.74 13.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.781 -0.19 . . . . 0.0 110.673 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 72.04 -51.12 0.7 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.431 0.693 . . . . 0.0 111.791 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 p -91.63 -25.53 19.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.832 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 66.18 29.26 9.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.679 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -85.35 131.77 34.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.626 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.6 t -119.19 131.2 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.416 -176.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -114.88 105.34 12.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.605 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.432 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.5 mp -102.31 112.08 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.9 t -92.41 120.56 41.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 mt -77.28 -174.48 3.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.609 0.718 . . . . 0.0 112.302 -175.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.503 ' HE2' HG12 ' A' ' 37' ' ' VAL . 39.7 ttmt -67.99 -27.94 67.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.651 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -133.01 68.62 1.5 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.186 0.517 . . . . 0.0 110.671 -174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t70 78.97 -51.48 0.45 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.719 -1.128 . . . . 0.0 113.535 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -52.91 130.46 33.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.174 0.511 . . . . 0.0 112.059 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.0 m -114.52 126.49 55.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.683 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.6 139.92 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.892 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.454 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 8.5 mp -118.26 115.23 24.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.813 0.339 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.543 HD12 ' HB3' ' A' ' 12' ' ' PHE . 20.0 mt -103.31 167.02 10.09 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 174.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.2 tttp . . . . . 0 C--N 1.321 -0.67 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.581 176.565 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.059 0.456 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.68 71.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.791 0.805 . . . . 0.0 109.64 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -126.6 18.92 7.39 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.001 177.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.508 HG23 ' HB1' ' A' ' 101' ' ' ALA . 39.4 t -75.33 115.21 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.648 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' A' ' 73' ' ' SER . 31.2 mmmt -77.38 134.25 38.49 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 174.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -80.18 34.06 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.575 0.703 . . . . 0.0 110.763 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 71' ' ' LYS . 54.6 m -99.76 -164.37 1.12 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.116 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.514 ' HB2' HD23 ' A' ' 127' ' ' LEU . 21.4 pttm -158.2 101.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 111.211 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -137.07 148.25 46.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.877 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.561 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 11.7 ptm180 -100.32 -22.17 15.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.251 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -67.91 -41.48 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.68 0.276 . . . . 0.0 111.096 -172.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.27 -27.62 69.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.024 0.44 . . . . 0.0 109.975 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.431 HD11 ' HA ' ' A' ' 76' ' ' ARG . 51.0 mt -72.23 -50.09 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 174.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.564 ' HG2' ' CE1' ' A' ' 128' ' ' PHE . 38.1 mt-10 -58.14 -42.99 87.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.35 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.1 p -67.81 -37.45 82.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.053 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.444 HG23 ' HB2' ' A' ' 99' ' ' ASN . 67.1 m -73.1 -34.3 66.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.83 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 t -61.98 -47.35 85.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.33 0.586 . . . . 0.0 109.487 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.87 -34.98 78.52 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.149 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -67.73 -30.25 69.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.651 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 62.0 tp -74.17 -30.26 62.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.117 0.484 . . . . 0.0 110.259 177.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -76.62 -44.15 35.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.191 0.52 . . . . 0.0 110.331 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.5 t -76.42 -63.41 1.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.639 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -84.53 -30.37 25.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.194 -173.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 37.0 tt0 58.12 62.03 2.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.7 0.762 . . . . 0.0 110.621 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.3 pt -71.88 169.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.088 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.73 162.19 29.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -57.61 -41.91 82.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.275 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.508 ' HA ' ' HG2' ' A' ' 97' ' ' ARG . 4.8 pt20 -70.49 -24.91 62.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.651 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -34.99 34.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.228 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.404 ' O ' HD13 ' A' ' 100' ' ' LEU . 88.4 t80 -62.89 -48.84 77.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.001 174.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.508 ' HG2' ' HA ' ' A' ' 94' ' ' GLN . 33.1 ptt180 -68.43 -24.51 64.74 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.775 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -59.77 -50.03 75.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.116 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.444 ' HB2' HG23 ' A' ' 82' ' ' THR . 44.5 m-80 -71.69 -31.72 67.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.414 -177.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 96' ' ' TYR . 8.9 mp -66.35 -39.03 88.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.75 0.31 . . . . 0.0 110.674 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.508 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -61.49 -36.02 79.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.403 0.621 . . . . 0.0 110.088 175.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -69.1 -21.87 64.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.732 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.82 -8.46 52.02 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.98 0.419 . . . . 0.0 111.08 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 101.38 8.75 46.08 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.848 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.1 102.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.117 0.484 . . . . 0.0 110.361 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -105.64 -26.82 11.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.964 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.902 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 19.8 mmt180 -102.8 92.56 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.072 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.803 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.9 t90 -87.79 95.82 10.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.429 HG11 ' OD1' ' A' ' 111' ' ' ASN . 17.8 t -110.47 103.47 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.945 0.402 . . . . 0.0 110.665 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.609 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 28.0 m -96.6 112.65 24.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.874 0.369 . . . . 0.0 110.294 177.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.429 ' OD1' HG11 ' A' ' 109' ' ' VAL . 3.0 m-20 -97.89 108.27 20.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.068 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.562 HG23 ' HA ' ' A' ' 33' ' ' LYS . 49.5 mm -73.47 -31.12 31.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -64.6 -40.63 95.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.404 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -86.78 -10.82 52.68 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.161 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 62.89 32.6 15.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.827 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 61.7 mttp -143.23 150.36 39.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.171 0.51 . . . . 0.0 112.091 -173.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.523 ' HD3' ' OH ' ' A' ' 119' ' ' TYR . 95.3 mtt180 -95.83 114.22 25.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.705 173.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.41 119.88 39.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.991 0.424 . . . . 0.0 110.457 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.523 ' OH ' ' HD3' ' A' ' 117' ' ' ARG . 45.9 m-85 -107.22 109.33 21.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.945 0.402 . . . . 0.0 110.679 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.902 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 77.2 m-85 -105.18 144.48 31.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.709 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.641 ' HB ' HD12 ' A' ' 127' ' ' LEU . 5.6 t -77.71 174.01 11.43 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -61.84 -19.45 62.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.536 0.684 . . . . 0.0 109.831 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.55 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 31.7 t70 -78.81 2.17 20.81 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.403 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.55 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 1.7 t30 77.1 -9.86 1.45 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.24 0.543 . . . . 0.0 111.489 178.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.0 m -76.68 135.9 39.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.971 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.5 tp -75.75 127.39 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.424 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.641 HD12 ' HB ' ' A' ' 121' ' ' THR . 81.0 mt -101.24 -59.24 1.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 -177.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.564 ' CE1' ' HG2' ' A' ' 80' ' ' GLU . 57.0 t80 -138.53 157.32 46.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.392 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 31.9 m -144.16 108.5 4.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.686 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -105.76 128.58 53.79 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 18.9 p -86.39 141.36 29.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.897 0.38 . . . . 0.0 111.228 -175.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 40.2 pt -84.76 0.29 5.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.776 0.798 . . . . 0.0 109.21 174.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.977 173.555 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.439 ' OD1' HG21 ' A' ' 9' ' ' VAL . 9.9 t70 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.507 ' HA ' HD11 ' A' ' 11' ' ' ILE . 9.3 tt0 -68.99 -19.61 64.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.742 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.439 HG21 ' OD1' ' A' ' 7' ' ' ASP . 69.3 t -54.72 -39.74 48.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.72 174.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.9 t -59.74 -45.74 94.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.403 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.54 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -62.84 -53.38 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.733 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.535 ' HB3' HD12 ' A' ' 61' ' ' LEU . 23.0 m-85 -62.33 -48.67 78.82 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HB2' HD22 ' A' ' 61' ' ' LEU . 24.0 ttpp -63.05 -32.52 73.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.363 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -69.5 -33.56 73.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 11' ' ' ILE . 82.7 mt -63.82 -54.06 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.199 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.489 ' HA ' HG13 ' A' ' 19' ' ' VAL . 75.6 m-85 -64.38 -32.74 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.235 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 9.1 t0 -60.6 -47.49 85.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.311 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -68.2 -53.29 25.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.267 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.489 HG13 ' HA ' ' A' ' 16' ' ' PHE . 7.4 p -65.33 -19.13 25.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -175.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.561 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 14.4 ttp85 -55.27 -48.54 73.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.207 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -103.07 -37.9 7.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.389 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.41 -29.83 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.077 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 mt 61.04 32.27 19.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.932 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -77.74 70.43 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.68 0.753 . . . . 0.0 110.212 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.506 ' HH ' ' HD1' ' A' ' 93' ' ' PHE . 51.7 m-85 -59.82 -23.27 63.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.631 -178.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -60.98 -41.69 96.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.003 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.8 t90 -83.33 -31.45 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.134 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.518 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.4 t80 -60.5 -49.68 76.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.555 177.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -66.7 -33.9 76.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.063 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 p -72.6 -43.12 63.74 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.996 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -66.24 -33.05 74.87 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.648 0.261 . . . . 0.0 111.264 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 74.4 mt -60.55 -53.6 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.254 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.584 ' HD3' HG23 ' A' ' 112' ' ' ILE . 34.4 mmtp -66.76 -14.99 63.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.612 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -97.33 -13.62 21.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -130.84 -61.29 0.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.386 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.422 ' O ' HG13 ' A' ' 112' ' ' ILE . 35.1 t30 -79.58 89.99 5.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.883 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.618 HG21 ' HD3' ' A' ' 54' ' ' LYS . 44.6 t -77.79 -31.45 17.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.477 -178.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.3 t -97.56 -79.26 0.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.691 -175.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -168.12 147.28 4.62 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.66 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.477 ' HB2' HG12 ' A' ' 51' ' ' ILE . 32.0 p90 -122.09 131.09 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 171.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.539 ' HB ' ' HB3' ' A' ' 50' ' ' HIS . 28.0 mt -106.77 108.62 25.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.227 -177.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.737 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -89.3 111.34 22.14 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -87.36 95.89 10.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' ' 44' ' ' LEU . 6.9 mp -54.47 -49.52 69.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -170.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 106' ' ' PHE . . . -68.99 -9.53 52.84 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -115.82 -9.35 11.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.316 0.579 . . . . 0.0 109.804 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 51.91 31.31 8.28 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.307 -173.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.19 127.39 45.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.363 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.556 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 7.9 t -100.53 107.55 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.87 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.539 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 16.6 t-160 -91.37 85.49 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.294 -177.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.477 HG12 ' HB2' ' A' ' 40' ' ' TYR . 28.9 mt -93.54 111.85 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.304 -175.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.3 t -104.28 118.05 50.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.9 mt -78.48 -164.93 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.336 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.618 ' HD3' HG21 ' A' ' 37' ' ' VAL . 14.6 pttp -66.38 -70.35 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.408 ' H ' ' HG3' ' A' ' 54' ' ' LYS . 20.6 m120 -144.73 15.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.41 -72.24 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.667 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -167.22 -172.14 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.384 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 m -117.66 136.82 53.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.04 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -112.99 122.68 67.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.556 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 6.3 mp -115.52 99.14 7.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.654 0.264 . . . . 0.0 110.583 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 12' ' ' PHE . 23.8 mt -82.27 132.79 35.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.929 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt . . . . . 0 C--N 1.32 -0.676 0 CA-C-O 121.108 0.48 . . . . 0.0 110.275 177.688 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 67' ' ' ILE . 2.0 mp . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 122.206 1.003 . . . . 0.0 109.668 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.3 p -108.66 19.45 5.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 122.695 1.236 . . . . 0.0 108.429 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 p -84.93 26.03 0.88 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.859 -1.519 . . . . 0.0 111.989 -172.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.89 113.03 4.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -95.14 159.33 15.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.687 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.616 ' HA ' ' HE1' ' A' ' 122' ' ' PHE . 11.9 p90 -75.81 77.06 2.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.139 0.971 . . . . 0.0 110.253 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.6 m -134.5 170.81 15.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.171 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -157.54 86.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.285 0.564 . . . . 0.0 110.902 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -133.98 137.38 44.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.461 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' HB2' ' HB2' ' A' ' 128' ' ' PHE . 35.8 ptt180 -100.81 -16.83 17.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.33 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -74.39 -35.57 63.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.534 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 HD23 ' HD3' ' A' ' 102' ' ' LYS . 48.1 tp -60.26 -43.3 96.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.826 0.346 . . . . 0.0 110.125 174.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.35 -48.16 90.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.157 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.43 -45.87 76.76 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.8 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -65.96 -38.51 88.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.979 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.553 HG21 ' CD1' ' A' ' 96' ' ' TYR . 31.2 m -70.31 -37.51 74.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.748 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 t -58.86 -47.72 83.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.329 0.585 . . . . 0.0 109.472 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -62.68 -37.42 86.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.888 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.64 -46.45 88.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.623 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 96' ' ' TYR . 4.4 mm? -67.64 -41.45 83.82 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.419 0.628 . . . . 0.0 109.905 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -58.03 -48.47 79.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.015 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.4 t -93.44 -38.75 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -91.32 -28.18 17.91 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -170.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 59.03 49.93 8.87 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.385 0.428 . . . . 0.0 110.755 -176.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.479 HG13 HD13 ' A' ' 86' ' ' LEU . 2.9 pt -72.49 -95.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.426 ' H ' HG13 ' A' ' 91' ' ' ILE . 41.7 m -155.84 142.48 18.74 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.561 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 55.9 t80 -63.59 -35.03 79.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.838 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 1.5 pp0? -69.38 -27.92 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.786 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.464 ' HB3' HD11 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -68.15 -41.24 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.517 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.553 ' CD1' HG21 ' A' ' 82' ' ' THR . 77.7 t80 -56.24 -47.39 78.59 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.196 174.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -60.55 -39.67 88.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.227 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 22.0 mtp180 -65.78 -39.56 91.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 111.437 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -68.35 -31.94 71.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 96' ' ' TYR . 9.5 mp -68.02 -40.74 82.87 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.492 175.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 -35.79 81.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.204 0.526 . . . . 0.0 110.283 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.459 ' HD3' HD23 ' A' ' 78' ' ' LEU . 77.7 tttt -65.02 -32.02 73.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.606 176.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.421 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -79.91 -14.21 58.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.114 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.97 11.12 35.29 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 81.1 t -76.37 122.43 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.11 0.481 . . . . 0.0 110.662 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 45' ' ' ALA . 30.4 t80 -121.55 -25.67 5.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.16 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.755 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 5.5 mpt_? -104.09 90.29 3.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.183 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.737 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 3.0 t90 -88.72 82.56 6.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 174.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 HG22 ' A' ' 41' ' ' ILE . 19.5 t -96.33 96.81 5.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.432 -176.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.431 HG23 ' HG2' ' A' ' 117' ' ' ARG . 93.9 m -90.1 102.98 15.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.251 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.561 ' HB3' ' HB2' ' A' ' 114' ' ' GLU . 9.8 m120 -88.98 113.66 24.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.324 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.584 HG23 ' HD3' ' A' ' 33' ' ' LYS . 31.7 mm -76.78 -46.74 29.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.793 -177.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -63.91 -33.21 75.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.086 0.47 . . . . 0.0 110.315 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 111' ' ' ASN . 8.3 mp0 -86.08 -12.53 49.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.804 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 63.08 30.32 16.19 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.666 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 54.3 mttp -144.11 141.84 30.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.207 0.527 . . . . 0.0 111.945 -177.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.439 ' NH2' ' HG3' ' A' ' 130' ' ' GLU . 85.3 mtm180 -98.43 108.79 21.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.415 173.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -94.99 113.97 25.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -100.14 105.45 17.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.891 0.377 . . . . 0.0 110.556 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.755 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 75.4 m-85 -103.48 148.03 26.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.201 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.496 ' HB ' HD12 ' A' ' 127' ' ' LEU . 10.0 t -76.51 179.74 5.73 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.616 ' HE1' ' HA ' ' A' ' 72' ' ' PHE . 47.5 p90 -67.47 -16.42 64.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.143 0.497 . . . . 0.0 110.594 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -83.46 -1.02 52.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.391 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 69.49 16.48 8.17 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.576 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.4 m -84.19 132.82 34.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.3 tp -73.23 106.94 5.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.496 HD12 ' HB ' ' A' ' 121' ' ' THR . 77.0 mt -80.94 -52.45 7.43 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.152 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.445 ' HB2' ' HB2' ' A' ' 76' ' ' ARG . 71.2 t80 -154.1 153.82 32.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.822 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.0 t -133.44 122.08 23.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.241 0.543 . . . . 0.0 109.982 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.439 ' HG3' ' NH2' ' A' ' 117' ' ' ARG . 8.0 tp10 -109.6 116.83 32.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.407 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' SER . . . . . 0.51 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 20.2 m -69.69 147.3 50.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.11 0.481 . . . . 0.0 111.604 -174.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 20.4 pt -98.82 122.42 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 170.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -168.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -55.13 -36.51 65.83 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.28 0.363 . . . . 0.0 110.912 -177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.426 HG12 HD22 ' A' ' 61' ' ' LEU . 72.9 t -62.95 -38.58 82.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.024 0.44 . . . . 0.0 110.86 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.1 -41.75 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.747 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.0 mp -64.87 -52.32 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.634 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -64.01 -41.19 97.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.53 -30.65 67.46 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.152 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.45 -32.42 74.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.048 0.451 . . . . 0.0 109.797 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.508 ' HA ' ' HZ2' ' A' ' 27' ' ' TRP . 75.8 mt -60.77 -48.9 86.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.165 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.455 ' HA ' HG11 ' A' ' 19' ' ' VAL . 78.8 m-85 -69.86 -31.4 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.015 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 8.8 t0 -65.28 -46.37 80.7 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.9 ' HE2' ' HA ' ' A' ' 18' ' ' LYS . 7.3 mmpt? -60.77 -44.79 96.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.678 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.56 ' O ' HD21 ' A' ' 23' ' ' LEU . 11.4 p -69.82 -32.58 52.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.713 -175.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' HD2' ' C ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -80.6 -19.62 45.08 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.815 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -94.21 -51.0 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.275 0.559 . . . . 0.0 110.877 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.603 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . 2.6 m-20 -91.37 -30.63 16.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.378 -171.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.56 HD21 ' O ' ' A' ' 19' ' ' VAL . 52.9 mt 66.65 10.28 7.31 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.603 ' OD1' ' HB3' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -79.44 84.72 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.239 -0.585 . . . . 0.0 109.891 172.251 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.654 ' HH ' HD11 ' A' ' 86' ' ' LEU . 97.7 m-85 -60.56 -25.19 65.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.046 -175.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.638 HE21 ' HA ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -56.31 -31.33 63.6 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 110.548 179.076 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.508 ' HZ2' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -76.56 -39.47 52.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.072 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.52 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 76.9 t80 -77.91 -37.64 47.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.103 -167.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' A' ' 25' ' ' TYR . 62.4 m-85 -70.31 -22.92 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 0.0 110.071 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 m -72.88 -37.65 67.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.541 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HG3' HG21 ' A' ' 15' ' ' ILE . 62.9 mm-40 -61.45 -45.94 92.17 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.571 173.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 90.8 mt -59.5 -48.95 79.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.769 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -71.83 -21.93 61.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.773 0.321 . . . . 0.0 111.371 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 -93.34 -27.79 16.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -116.19 -48.55 2.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.168 -0.332 . . . . 0.0 111.618 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -82.15 80.24 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.365 0.603 . . . . 0.0 109.881 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -71.79 -33.32 47.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.268 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 13.0 t -97.07 -85.08 0.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.722 -176.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -174.66 142.47 0.72 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.679 0.276 . . . . 0.0 110.614 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.441 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 38.2 p90 -113.28 143.71 43.96 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.143 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 108' ' ' TRP . 4.4 mp -111.99 114.34 46.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.68 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.79 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.8 t80 -92.89 133.5 36.03 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -109.11 99.79 9.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.28 0.562 . . . . 0.0 109.715 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.44 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 66.0 mt -69.94 -8.38 48.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.212 -172.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HB3' HG23 ' A' ' 70' ' ' VAL . . . -82.48 -6.72 59.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.761 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 2.7 p -142.39 -3.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.331 0.395 . . . . 0.0 111.534 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 46' ' ' THR . 13.1 mm-40 66.41 16.84 10.54 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.221 -171.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.79 155.11 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.911 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.47 142.38 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.602 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -120.16 99.85 6.84 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.416 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.8 mp -93.31 110.46 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.279 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.492 ' O ' ' HB3' ' A' ' 38' ' ' SER . 19.4 t -90.35 112.08 24.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.21 -177.46 1.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.499 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -41.31 -58.02 1.97 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.622 0.576 . . . . 0.0 111.976 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -168.79 35.74 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -104.64 -72.82 0.69 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.996 -171.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -143.69 156.79 44.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.434 -174.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 52' ' ' VAL . 24.5 m -107.81 94.98 5.37 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 172.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.8 t -72.91 117.13 16.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.696 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.4 pt? -99.59 109.14 21.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.594 0.711 . . . . 0.0 110.729 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD22 HG12 ' A' ' 9' ' ' VAL . 54.1 mt -93.46 133.2 36.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.721 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 67' ' ' ILE . 8.9 tp . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 122.034 0.921 . . . . 0.0 111.709 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.51 102.48 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.808 0.813 . . . . 0.0 111.292 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.8 m -109.71 11.06 24.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.348 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.607 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 48.8 t -70.93 105.96 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.348 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -86.11 139.97 30.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.428 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.41 85.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.309 0.576 . . . . 0.0 110.048 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.449 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 73.9 m -153.66 168.62 25.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.801 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.442 ' HE2' ' OD1' ' A' ' 123' ' ' ASP . 67.7 mttt -134.02 51.15 2.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -86.98 116.97 25.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.577 -171.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -88.36 -18.05 29.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.506 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -83.63 -33.83 25.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.847 0.356 . . . . 0.0 110.046 -176.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.2 tp -65.71 -35.55 81.07 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.07 -48.97 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.854 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.63 -48.61 74.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.697 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.4 m -60.65 -45.01 95.7 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.965 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.0 m -64.29 -43.84 93.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.876 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.6 t -59.44 -50.71 72.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.892 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -58.88 -44.92 91.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.858 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.754 ' HE2' HG22 ' A' ' 91' ' ' ILE . 87.4 tttt -60.56 -38.06 83.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.654 HD11 ' HH ' ' A' ' 25' ' ' TYR . 51.5 tp -72.4 -53.0 13.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 111.368 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -73.69 -23.56 59.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.891 -172.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.6 m -98.68 -47.87 5.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -99.7 4.45 45.53 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -173.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 74.11 -56.97 0.63 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.083 0.553 . . . . 0.0 112.337 173.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.754 HG22 ' HE2' ' A' ' 85' ' ' LYS . 35.3 pt 34.82 -124.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.266 1.026 . . . . 0.0 112.989 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -147.87 142.2 26.27 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.453 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 61.3 t80 -59.22 -29.12 67.28 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.304 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.55 -47.06 85.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.093 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -64.48 -37.65 88.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.063 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.476 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 71.3 t80 -54.29 -53.04 59.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.883 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.453 ' HD3' ' CE2' ' A' ' 93' ' ' PHE . 17.6 mtm180 -64.29 -37.82 88.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.0 0.428 . . . . 0.0 110.785 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -46.82 76.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.137 -175.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -69.53 -27.18 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.132 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 96' ' ' TYR . 79.2 mt -63.12 -45.25 92.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.288 175.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.607 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -61.81 -33.75 74.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.548 0.69 . . . . 0.0 110.189 176.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -69.18 -19.03 63.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.665 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.72 -16.92 27.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.79 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 117.77 2.72 16.66 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.655 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.25 116.52 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.235 0.541 . . . . 0.0 110.681 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.511 ' HB3' ' HA ' ' A' ' 122' ' ' PHE . 55.7 t80 -113.56 -26.83 8.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.437 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 1.02 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 53.1 mmm-85 -113.02 99.37 7.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.352 . . . . 0.0 110.962 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.79 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.2 t90 -91.94 101.6 14.17 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 174.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.5 t -110.85 108.09 24.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.441 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 58.8 m -104.08 105.78 16.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.68 176.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -102.59 115.58 30.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.1 mm -76.32 -23.82 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.435 -173.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -59.86 -30.8 69.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -112.73 -6.03 13.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.607 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 58.92 39.85 23.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.421 0.629 . . . . 0.0 110.341 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -119.61 143.28 47.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.012 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.4 ' HG2' ' OG1' ' A' ' 110' ' ' THR . 49.6 mtt180 -111.49 109.96 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.374 171.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -90.99 126.2 36.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.727 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -109.76 108.72 19.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.857 0.361 . . . . 0.0 110.352 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 1.02 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 63.3 m-85 -102.31 145.47 29.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.043 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.741 ' HB ' HD13 ' A' ' 127' ' ' LEU . 2.4 t -69.93 170.92 10.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.761 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.511 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 72.7 t80 -58.3 -37.12 74.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.42 -177.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.442 ' OD1' ' HE2' ' A' ' 74' ' ' LYS . 8.5 p-10 -83.72 5.8 23.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.201 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 69.95 92.24 0.09 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 111.809 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.6 t -167.55 143.91 4.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -74.61 118.95 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.958 -173.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.741 HD13 ' HB ' ' A' ' 121' ' ' THR . 83.3 mt -101.98 -56.08 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.456 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -135.26 154.25 51.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.06 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.2 m -138.25 103.24 4.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.007 0.432 . . . . 0.0 110.152 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -94.86 109.52 21.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.568 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.4 t -82.48 123.32 29.06 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.2 pt -74.77 75.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.942 0.877 . . . . 0.0 111.014 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-N 114.087 -1.415 . . . . 0.0 107.415 178.183 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -57.44 -31.87 66.34 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 61' ' ' LEU . 58.3 t -59.62 -42.26 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.167 178.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.86 -46.17 97.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.257 -176.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 mp -61.19 -51.71 69.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.15 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.509 ' HB2' HD22 ' A' ' 61' ' ' LEU . 63.0 m-85 -67.1 -41.48 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.22 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 62.6 tttm -62.06 -38.17 87.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.3 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.484 HE21 ' HA ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -60.02 -35.93 76.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.446 -179.59 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.49 -45.64 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.977 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.509 ' HA ' HG12 ' A' ' 19' ' ' VAL . 84.6 m-85 -70.98 -37.59 72.72 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.146 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 10.2 m-20 -61.56 -39.15 90.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.02 0.438 . . . . 0.0 111.06 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -68.82 -52.38 30.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.067 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 16' ' ' PHE . 7.8 p -68.38 -22.83 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -171.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.598 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 34.9 ptt85 -71.66 -18.63 62.17 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.067 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -120.41 -44.54 2.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.05 0.452 . . . . 0.0 110.902 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.9 -34.51 71.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.709 -176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 HD11 ' HA ' ' A' ' 92' ' ' THR . 91.9 mt 63.72 20.06 12.04 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.834 173.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -79.29 87.3 4.98 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.056 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.502 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 72.1 m-85 -72.21 -16.96 61.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.372 -177.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -59.58 -44.4 93.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.222 0.534 . . . . 0.0 109.878 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -79.95 -36.97 35.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.502 ' HB3' ' HA ' ' A' ' 25' ' ' TYR . 48.0 t80 -58.16 -57.11 14.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.367 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -71.17 -26.68 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.586 0.232 . . . . 0.0 111.215 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 38.5 t -63.31 -47.95 80.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 109.99 176.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -70.6 -36.07 73.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.937 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 73.9 mt -58.48 -44.72 89.45 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.326 176.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.489 ' HD2' ' O ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -72.45 -21.17 61.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -177.201 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 30' ' ' SER . 58.8 mtm180 -100.94 -4.47 27.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -131.02 -57.22 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.297 0.57 . . . . 0.0 110.803 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -83.21 80.22 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.936 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HB ' ' HA ' ' A' ' 54' ' ' LYS . 45.1 t -74.96 -25.19 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 50.4 m -96.88 -82.21 0.41 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.389 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 111' ' ' ASN . 37.5 p-80 -179.8 155.21 0.62 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.655 -175.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.597 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 44.8 p90 -123.02 144.43 49.27 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.49 HG22 HG22 ' A' ' 109' ' ' VAL . 4.6 mp -112.0 116.57 52.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.367 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 1.007 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.2 t80 -100.14 114.04 27.12 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.821 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -94.08 107.93 19.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.803 0.335 . . . . 0.0 110.433 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.96 160.68 31.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.93 12.47 6.85 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.344 0.593 . . . . 0.0 110.817 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.7 m -145.45 -33.34 0.36 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.728 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.679 ' HG3' HD12 ' A' ' 67' ' ' ILE . 5.2 mm-40 71.89 19.64 4.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.41 174.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -90.97 113.36 25.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.444 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 11.3 t -110.9 113.77 45.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.96 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -104.15 102.71 12.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.745 0.307 . . . . 0.0 110.888 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 51' ' ' ILE . 4.1 mp -92.05 116.16 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.183 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 38' ' ' SER . 39.8 t -94.32 111.97 26.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.4 mt -72.11 -164.57 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.375 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.529 ' HB3' ' HZ1' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -55.66 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.932 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -140.97 15.51 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' OD1' ' HB3' ' A' ' 54' ' ' LYS . 4.4 m-20 -85.04 -77.37 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.239 -1.346 . . . . 0.0 111.102 -169.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -159.56 173.7 15.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.67 0.272 . . . . 0.0 110.82 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.7 m -102.26 127.22 49.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.051 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.1 t -100.25 116.62 43.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.127 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.667 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.7 pt? -102.22 112.37 25.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.354 0.597 . . . . 0.0 110.718 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' A' ' 12' ' ' PHE . 31.7 mt -98.36 149.83 22.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.068 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.3 pttt . . . . . 0 C--N 1.323 -0.566 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 170.33 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.679 HD12 ' HG3' ' A' ' 47' ' ' GLU . 4.3 mp . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 121.829 0.823 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 68' ' ' VAL . 7.7 p -79.12 82.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 122.189 0.995 . . . . 0.0 110.678 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -105.0 -1.54 25.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.792 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.1 t -85.41 129.36 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.736 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -110.93 147.27 35.0 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.22 84.07 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.152 0.501 . . . . 0.0 110.765 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.555 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 8.2 m -134.93 163.06 30.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.582 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -136.79 55.37 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.365 0.602 . . . . 0.0 109.512 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' A' ' 77' ' ' HIS . 27.6 t70 -108.55 102.5 11.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.797 -171.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.531 ' HA ' HD11 ' A' ' 79' ' ' ILE . 18.0 ttt-85 -66.4 -32.53 73.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.4 175.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.528 ' HB3' ' OD1' ' A' ' 75' ' ' ASP . 0.8 OUTLIER -50.99 -53.68 31.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.703 178.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.418 HD21 ' HB1' ' A' ' 103' ' ' ALA . 40.1 tp -64.36 -35.94 82.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.486 0.184 . . . . 0.0 110.91 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 76' ' ' ARG . 67.8 mt -57.8 -55.27 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.007 0.432 . . . . 0.0 110.469 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.38 -46.37 86.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.261 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.2 m -59.01 -37.81 77.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.879 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.506 HG21 ' HB2' ' A' ' 99' ' ' ASN . 91.1 m -72.15 -38.98 69.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.247 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.43 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 17.5 t -62.14 -40.3 95.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.068 0.461 . . . . 0.0 109.858 176.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -64.93 -32.56 74.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.006 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.735 ' HD2' HD12 ' A' ' 91' ' ' ILE . 33.1 ttmt -65.37 -46.03 81.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.006 0.431 . . . . 0.0 110.256 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -67.43 -39.22 85.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.059 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.4 -20.81 64.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.904 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t -92.52 -59.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.363 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -100.31 -81.17 0.47 Allowed 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.301 -0.559 . . . . 0.0 112.216 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 170.92 -45.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.389 0.431 . . . . 0.0 111.17 -175.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.735 HD12 ' HD2' ' A' ' 85' ' ' LYS . 25.0 pt 37.2 -122.95 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.801 0.84 . . . . 0.0 112.525 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.475 ' HA ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -155.89 155.38 32.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.598 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 68.2 t80 -62.2 -34.76 77.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.98 0.419 . . . . 0.0 110.21 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -68.48 -40.77 80.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -61.81 -49.06 77.82 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.43 ' HE1' ' HA ' ' A' ' 83' ' ' SER . 52.2 t80 -56.38 -46.53 80.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.9 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -66.23 -38.98 89.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.38 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.9 ttm-85 -61.2 -46.18 91.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.443 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.506 ' HB2' HG21 ' A' ' 82' ' ' THR . 42.7 m-80 -66.96 -36.78 82.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 111.001 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.35 -49.05 79.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.047 0.451 . . . . 0.0 110.242 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.61 83.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.916 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.9 -27.27 64.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.224 0.535 . . . . 0.0 110.757 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.418 ' HB1' HD21 ' A' ' 78' ' ' LEU . . . -80.33 -9.42 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.687 178.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.555 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 105.8 8.03 35.23 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.695 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.97 101.59 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 0.0 110.43 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -98.84 -26.23 14.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.843 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.873 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 6.5 ttm180 -121.26 97.42 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.659 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 1.007 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.1 t90 -91.49 102.35 15.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.246 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.49 HG22 HG22 ' A' ' 41' ' ' ILE . 31.0 t -113.32 107.69 23.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.002 0.429 . . . . 0.0 110.856 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.597 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 48.4 m -105.51 112.48 25.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.026 0.441 . . . . 0.0 110.434 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.458 ' HA ' ' CB ' ' A' ' 39' ' ' HIS . 3.6 m-20 -96.75 109.49 22.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.462 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.2 mm -74.35 -31.27 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.705 176.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -67.07 -24.67 65.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.691 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -106.49 -8.14 17.21 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.706 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 54.1 40.49 31.69 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.971 0.415 . . . . 0.0 111.189 -173.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -141.93 141.54 32.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.234 0.54 . . . . 0.0 111.843 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.475 ' HG2' HG21 ' A' ' 110' ' ' THR . 60.8 mtm180 -101.81 112.55 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.773 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -98.55 128.65 44.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.279 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -113.51 110.71 20.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.873 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 82.8 m-85 -109.26 145.45 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.217 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.491 ' HB ' HD11 ' A' ' 127' ' ' LEU . 9.9 t -83.81 -179.77 7.37 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 171.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -62.33 -28.23 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.064 0.459 . . . . 0.0 110.251 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 29.4 t70 -69.39 -9.12 52.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.471 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 27.3 t-20 76.16 4.37 3.72 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.767 0.794 . . . . 0.0 110.186 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -70.98 122.56 20.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.878 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 49.2 tp -71.78 110.74 6.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.927 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.491 HD11 ' HB ' ' A' ' 121' ' ' THR . 98.0 mt -90.91 -38.77 12.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.178 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 18.9 t80 -141.62 145.11 34.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.842 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.0 m -138.63 103.05 4.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.823 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.481 ' HB2' ' CE2' ' A' ' 128' ' ' PHE . 18.7 tt0 -112.4 125.68 54.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.692 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.8 t -86.41 126.23 34.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 175.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.3 pt -76.5 90.23 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.549 0.69 . . . . 0.0 110.802 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.977 -178.258 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 CA--C 1.518 -0.254 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.65 -31.07 71.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.204 0.526 . . . . 0.0 110.592 -177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.19 -36.09 70.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.204 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.71 -46.8 93.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.222 -177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.526 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -62.66 -50.98 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.678 -178.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.533 ' HB3' HD11 ' A' ' 61' ' ' LEU . 23.6 m-85 -64.5 -46.08 84.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.802 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.501 ' HD2' ' O ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -63.62 -36.09 82.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.317 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.43 -29.5 69.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.351 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 11' ' ' ILE . 71.4 mt -61.85 -49.16 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.119 0.485 . . . . 0.0 109.704 176.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.511 ' HA ' HG13 ' A' ' 19' ' ' VAL . 95.9 m-85 -70.49 -33.55 71.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.529 177.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.469 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 7.2 t70 -64.87 -34.85 79.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.639 -178.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -49.99 17.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.573 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.511 HG13 ' HA ' ' A' ' 16' ' ' PHE . 9.1 p -66.5 -27.68 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.876 -174.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.476 ' HB2' ' NE2' ' A' ' 94' ' ' GLN . 46.3 ptt85 -72.29 -7.52 49.9 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.215 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -118.22 -54.12 2.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.19 -22.15 52.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.186 -173.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.2 mt 64.25 23.75 13.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 110.689 -175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -81.68 91.93 6.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.229 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.507 ' HH ' ' HD1' ' A' ' 93' ' ' PHE . 61.4 m-85 -80.64 -21.8 41.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -59.89 -52.55 64.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.063 0.459 . . . . 0.0 110.247 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -73.82 -33.39 64.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.293 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.512 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 36.9 t80 -58.96 -57.24 13.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -69.37 -26.9 64.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.32 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.598 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 24.4 t -58.5 -53.58 56.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.079 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -70.98 -33.33 70.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.426 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 46.3 mt -57.38 -51.3 69.97 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.558 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -70.29 -12.68 61.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.883 0.373 . . . . 0.0 111.232 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 30' ' ' SER . 71.7 mtp180 -88.82 -23.28 22.86 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 122.126 -0.359 . . . . 0.0 111.469 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -124.34 -53.1 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.083 0.468 . . . . 0.0 110.608 -174.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -82.32 90.15 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.911 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.617 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 17.7 t -84.32 -8.4 11.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.552 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -118.59 -94.65 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.551 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -158.51 146.11 18.01 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 122.165 -0.334 . . . . 0.0 111.145 -172.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -120.14 141.92 49.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.893 0.377 . . . . 0.0 110.502 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.2 mt -106.43 106.9 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.85 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.965 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.4 t80 -93.42 107.92 19.68 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.941 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.528 ' HB2' ' HB3' ' A' ' 48' ' ' ASN . 96.3 m-85 -88.73 104.15 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' A' ' 97' ' ' ARG . 5.9 mp -64.38 -27.07 68.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.47 -171.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.512 ' HB3' HG22 ' A' ' 68' ' ' VAL . . . -76.32 -10.21 59.23 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 m -138.33 -2.38 1.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.608 ' HG2' HD12 ' A' ' 67' ' ' ILE . 10.1 mm-40 55.46 34.78 23.72 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.865 0.841 . . . . 0.0 109.355 -169.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.528 ' HB3' ' HB2' ' A' ' 43' ' ' TYR . 2.8 t-20 -94.03 98.18 10.83 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.804 -176.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 t -98.17 123.89 50.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.594 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -106.88 96.48 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.31 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.4 mp -87.57 98.49 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.51 115.36 18.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.2 mt -72.46 179.66 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.42 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.617 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 83.4 tttt -68.11 -22.16 64.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.717 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -129.34 63.22 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.003 0.43 . . . . 0.0 111.297 -175.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t70 77.58 -50.04 0.52 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 165.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -58.55 140.7 53.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.057 0.456 . . . . 0.0 110.984 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.6 m -122.03 124.39 43.87 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.104 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.538 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 20.0 t -78.13 117.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 tt -102.2 107.38 18.43 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 12' ' ' PHE . 51.6 mt -100.52 143.8 30.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.388 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.3 pttm . . . . . 0 C--N 1.318 -0.765 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 171.637 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.608 HD12 ' HG2' ' A' ' 47' ' ' GLU . 3.7 mp . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 45' ' ' ALA . 46.8 t -75.05 86.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.425 -176.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.7 p -105.97 -3.85 21.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.106 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.417 HG23 ' HB3' ' A' ' 101' ' ' ALA . 40.4 t -69.75 133.83 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.266 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.421 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 21.7 mtpp -115.4 155.24 27.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.995 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -82.88 74.68 9.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.295 0.569 . . . . 0.0 109.88 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.415 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 50.5 m -133.39 166.16 23.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.549 -177.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -134.44 95.84 3.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.145 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -139.45 137.44 35.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.838 0.352 . . . . 0.0 110.148 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -100.48 -25.54 14.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.587 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 87.6 m-70 -84.51 -25.09 29.05 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.617 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.69 -35.66 81.76 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.46 -49.24 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.685 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' A' ' 77' ' ' HIS . 40.0 tt0 -56.02 -50.83 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.763 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 p -63.64 -40.78 97.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.667 0.27 . . . . 0.0 111.707 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.0 m -68.62 -36.18 78.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.79 0.328 . . . . 0.0 110.546 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t -67.74 -38.45 83.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -64.57 -37.22 86.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.105 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -66.92 -33.49 75.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.34 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.12 -40.32 94.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.046 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -74.35 -39.52 62.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.273 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.8 m -74.44 -50.9 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.39 -177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.592 ' HD2' ' HG2' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -100.49 -78.45 0.52 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.515 -0.474 . . . . 0.0 109.832 -178.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.592 ' HG2' ' HD2' ' A' ' 89' ' ' ARG . 12.7 pt-20 152.6 -31.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.631 1.173 . . . . 0.0 108.582 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.3 pt 37.83 -130.43 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.312 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.1 m -149.86 153.6 37.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.544 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 56.1 t80 -56.83 -33.05 66.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.025 0.441 . . . . 0.0 110.533 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.476 ' NE2' ' HB2' ' A' ' 20' ' ' ARG . 79.0 mm-40 -66.37 -49.31 67.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.983 177.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -58.32 -42.72 87.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.011 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.538 ' O ' HD12 ' A' ' 100' ' ' LEU . 53.1 t80 -58.93 -47.26 85.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.718 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 93' ' ' PHE . 35.0 mtm180 -69.5 -35.79 75.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.771 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -56.46 -43.94 80.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.567 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -80.54 -29.99 37.12 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.246 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 96' ' ' TYR . 8.0 mp -65.67 -44.22 86.94 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.563 176.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.417 ' HB3' HG23 ' A' ' 70' ' ' VAL . . . -64.39 -35.69 81.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.228 0.537 . . . . 0.0 110.321 176.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -68.1 -26.3 65.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.494 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.66 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.073 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 115.01 5.99 19.3 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.505 -0.855 . . . . 0.0 113.302 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.4 t -77.14 112.08 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.076 0.465 . . . . 0.0 110.363 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -108.73 -30.1 8.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.167 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.75 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 83.3 mtt180 -117.28 102.99 9.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.965 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.8 t90 -87.83 93.02 9.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.166 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.8 t -102.01 102.48 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.2 m -103.33 117.41 34.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.0 0.429 . . . . 0.0 110.312 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -106.12 105.94 16.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.424 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.7 tp -72.08 -27.68 27.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.17 0.509 . . . . 0.0 109.694 -175.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -67.09 -20.53 65.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.103 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 12.2 tp10 -113.16 -9.89 13.45 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.775 -172.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 58.34 27.66 15.65 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.603 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 59.1 mttp -133.9 142.74 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 0.0 111.575 -174.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -103.26 121.04 41.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.48 172.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -104.23 108.93 20.55 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.827 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -89.85 104.71 17.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.237 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.75 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 78.3 m-85 -100.37 143.89 30.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.844 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.3 t -80.29 -179.56 7.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -56.84 -35.62 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.021 0.439 . . . . 0.0 110.96 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -81.97 13.58 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.143 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.2 t30 62.51 24.85 14.8 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.782 0.801 . . . . 0.0 110.652 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.8 m -94.51 131.83 39.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.685 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.5 tp -71.41 120.0 16.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.564 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.5 mt -96.67 -49.64 5.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -139.26 144.38 38.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.813 0.34 . . . . 0.0 110.51 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.1 m -126.31 123.32 37.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.065 177.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -130.14 145.61 51.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.825 0.345 . . . . 0.0 110.354 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.5 p -100.24 126.6 46.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.014 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 22.6 pt -85.39 -1.52 6.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.501 0.667 . . . . 0.0 110.157 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 169.605 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.435 ' OD1' ' HB ' ' A' ' 9' ' ' VAL . 9.6 t70 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.88 -21.9 64.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.436 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.435 ' HB ' ' OD1' ' A' ' 7' ' ' ASP . 58.3 t -64.57 -36.95 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.234 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 68.9 t -60.71 -43.0 94.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.949 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.93 -53.43 46.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.206 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.56 ' HB2' HD21 ' A' ' 61' ' ' LEU . 60.3 m-85 -68.68 -41.87 78.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.557 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -63.53 -33.43 75.57 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 3.9 tp-100 -59.88 -44.67 94.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.159 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.24 -52.25 58.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.932 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -66.15 -37.02 84.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 0.0 111.463 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.57 -39.64 67.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.678 0.275 . . . . 0.0 110.892 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -70.77 -38.33 73.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.3 -23.39 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.115 0.484 . . . . 0.0 110.033 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 20' ' ' ARG . 2.3 tmm_? -70.29 -19.21 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.124 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -96.47 -56.22 2.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.335 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.63 -35.67 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.066 -176.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.3 mt 61.51 27.47 16.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.703 0.763 . . . . 0.0 109.528 -170.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -84.27 83.72 7.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.738 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.521 ' HH ' HD13 ' A' ' 86' ' ' LEU . 75.0 m-85 -68.77 -27.81 66.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.73 -178.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -64.01 -51.82 62.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.422 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -67.65 -39.07 84.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.571 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.433 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 35.3 t80 -50.73 -56.53 11.57 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.469 0.481 . . . . 0.0 111.41 -177.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -73.64 -17.0 61.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.4 m -76.34 -47.81 22.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.919 0.39 . . . . 0.0 110.002 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.73 -40.49 88.37 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.817 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 46.3 mt -56.11 -51.92 66.18 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.32 174.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HG2' ' CG2' ' A' ' 112' ' ' ILE . 9.7 mtmp? -72.78 0.85 9.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -95.9 -21.75 17.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.985 0.421 . . . . 0.0 110.117 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -120.43 -59.36 1.77 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.369 0.604 . . . . 0.0 110.191 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -90.76 91.88 8.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.465 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -89.35 5.43 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.607 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 28.9 t -112.6 -91.93 0.48 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.921 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.431 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 52.0 p-80 -168.11 158.51 10.34 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.767 0.318 . . . . 0.0 111.323 -175.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 47.6 p90 -139.86 149.29 43.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.341 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.458 HG23 HG23 ' A' ' 109' ' ' VAL . 4.5 mp -116.43 114.09 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.744 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.4 OUTLIER -97.59 114.57 26.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.023 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -88.3 107.39 18.79 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.449 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 108' ' ' TRP . 6.8 mp -66.66 145.83 55.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.13 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 68' ' ' VAL . . . 77.63 -39.88 0.31 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.387 0.675 . . . . 0.0 110.793 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 m -77.58 -30.05 52.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 59.61 23.64 12.39 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.548 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.7 m-80 -103.36 110.2 22.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.941 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.5 t -100.47 128.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.695 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -110.04 107.11 16.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.839 0.352 . . . . 0.0 110.29 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.429 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.5 mp -104.29 112.51 38.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.109 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.469 HG22 HG21 ' A' ' 58' ' ' THR . 13.9 t -98.18 115.28 37.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 57' ' ' ASN . 77.5 mt -74.15 167.06 22.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.45 . . . . 0.0 110.549 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -67.83 -18.15 64.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.349 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -120.89 59.26 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.785 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.6 t70 79.44 -53.19 0.42 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.902 -1.045 . . . . 0.0 113.178 167.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.526 ' HB3' HD11 ' A' ' 53' ' ' LEU . 45.5 t30 -54.44 131.32 42.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.327 0.584 . . . . 0.0 112.345 -173.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.469 HG21 HG22 ' A' ' 52' ' ' VAL . 28.4 m -122.34 114.61 21.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.812 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 t -100.09 141.72 16.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.237 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' H ' HD21 ' A' ' 60' ' ' LEU . 2.0 pt? -123.84 117.96 26.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.193 0.52 . . . . 0.0 110.594 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.56 HD21 ' HB2' ' A' ' 12' ' ' PHE . 31.1 mt -93.16 101.69 13.99 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' HG2' ' OD1' ' A' ' 48' ' ' ASN . 25.3 mtpp . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.5 mt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.455 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . 39.9 t 49.47 84.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.748 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.44 ' OG ' ' HG3' ' A' ' 98' ' ' ARG . 5.0 m -105.92 -18.1 14.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.682 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 61.2 t -58.94 128.95 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.641 -173.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -119.69 155.45 32.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.196 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -79.34 79.53 5.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.356 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 m -149.78 175.04 11.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.458 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 52.1 pttt -151.29 96.03 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.364 0.602 . . . . 0.0 111.112 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -131.25 131.5 43.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.029 0.443 . . . . 0.0 111.158 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.478 ' HD3' ' O ' ' A' ' 127' ' ' LEU . 68.1 mtm180 -96.08 -13.96 23.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.135 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -70.34 -50.53 38.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.144 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.51 HD22 ' HB3' ' A' ' 103' ' ' ALA . 58.7 tp -58.56 -33.65 70.17 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.736 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 76' ' ' ARG . 74.1 mt -61.1 -48.26 89.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.252 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.82 -45.52 85.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.397 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 m -55.52 -47.57 76.03 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.025 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.445 HG23 ' HB2' ' A' ' 99' ' ' ASN . 21.6 m -69.31 -33.07 72.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.253 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.2 m -69.43 -36.81 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.97 0.415 . . . . 0.0 110.588 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.42 -33.0 70.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.876 0.846 . . . . 0.0 108.736 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -66.53 -40.51 89.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.26 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.612 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 25.2 tp -69.86 -23.29 63.25 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.752 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -83.79 -45.58 13.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.099 0.476 . . . . 0.0 110.327 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.3 t -77.73 -55.95 4.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.333 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.441 ' C ' ' H ' ' A' ' 91' ' ' ILE . 77.7 mtp180 -92.48 -30.27 15.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.628 0.251 . . . . 0.0 110.792 -176.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.612 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 44.9 mt-10 73.63 -28.9 0.19 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.599 0.759 . . . . 0.0 112.093 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.441 ' H ' ' C ' ' A' ' 89' ' ' ARG . 8.4 pt 34.21 -109.27 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 174.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.2 m -151.88 140.58 20.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -59.4 -30.59 68.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 0.0 111.346 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -58.8 -52.72 64.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.728 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.19 -34.14 75.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.053 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -56.3 -52.6 63.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.112 0.482 . . . . 0.0 110.306 176.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 97' ' ' ARG . 22.5 ttp85 -67.75 -32.09 72.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.727 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.44 ' HG3' ' OG ' ' A' ' 69' ' ' SER . 26.7 ttp180 -66.74 -42.05 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.776 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.445 ' HB2' HG23 ' A' ' 82' ' ' THR . 6.8 m-20 -64.96 -41.59 95.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.11 -40.74 98.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -60.1 -38.11 81.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.037 0.446 . . . . 0.0 110.665 177.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -70.63 -28.93 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.673 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.51 ' HB3' HD22 ' A' ' 78' ' ' LEU . . . -77.18 -12.95 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.326 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.8 -0.88 12.1 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.068 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 82.7 t -75.47 105.06 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.161 0.505 . . . . 0.0 110.288 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -105.5 -30.61 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.724 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.592 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 41.4 mtp180 -120.27 104.09 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.273 0.559 . . . . 0.0 110.793 -175.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.744 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 4.6 t-105 -87.43 96.14 10.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.543 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.458 HG23 HG23 ' A' ' 41' ' ' ILE . 48.7 t -106.31 103.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.0 0.429 . . . . 0.0 110.85 -178.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.483 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 70.1 m -101.64 111.81 24.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.431 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 58.3 t30 -95.22 102.09 13.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.319 0.581 . . . . 0.0 109.449 178.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.47 ' CG2' ' HG2' ' A' ' 33' ' ' LYS . 43.2 mm -61.31 -40.67 86.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.28 -173.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -66.04 -24.41 66.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.413 ' HG3' ' ND2' ' A' ' 111' ' ' ASN . 49.8 mt-10 -103.07 -2.72 27.01 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.524 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 55.66 39.82 30.9 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.536 0.523 . . . . 0.0 110.948 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -136.35 137.84 41.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.92 0.391 . . . . 0.0 111.682 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -100.65 121.37 41.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.248 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -106.44 113.02 26.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.775 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -96.89 108.06 20.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.717 0.294 . . . . 0.0 110.579 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.592 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 93.9 m-85 -100.54 142.93 31.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.498 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.676 ' HB ' HD13 ' A' ' 127' ' ' LEU . 10.1 t -84.71 -179.11 7.05 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.763 175.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -60.11 -31.24 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.444 ' CG ' ' HG ' ' A' ' 125' ' ' SER . 1.0 OUTLIER -92.02 8.55 37.14 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.074 -176.145 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 80.49 12.39 0.93 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.553 0.741 . . . . 0.0 111.793 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.444 ' HG ' ' CG ' ' A' ' 123' ' ' ASP . 57.0 m -75.41 132.12 40.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.779 -0.575 . . . . 0.0 109.857 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.4 tp -75.6 115.64 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.676 HD13 ' HB ' ' A' ' 121' ' ' THR . 93.7 mt -91.5 -77.15 0.43 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.023 0.44 . . . . 0.0 110.643 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -111.01 142.77 42.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -174.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.7 m -144.61 126.67 15.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.043 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.81 174.57 10.47 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.391 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 m -118.07 116.95 27.91 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.44 0.462 . . . . 0.0 110.261 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.9 pt -67.4 115.62 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.34 0.591 . . . . 0.0 110.212 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.813 -173.493 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.493 ' HA ' HD11 ' A' ' 11' ' ' ILE . 5.5 tp-100 -55.65 -24.37 33.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.298 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.6 t -57.14 -39.29 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.83 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.38 -40.02 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.752 0.31 . . . . 0.0 110.801 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' A' ' 8' ' ' GLN . 3.1 mp -62.62 -57.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.67 -178.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.558 ' HB3' HD12 ' A' ' 61' ' ' LEU . 57.7 m-85 -66.93 -41.35 87.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.614 -176.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.89 -38.77 86.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.629 0.252 . . . . 0.0 110.526 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -59.29 -41.15 88.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.071 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.796 HG22 ' HD1' ' A' ' 28' ' ' PHE . 35.1 mt -64.07 -48.73 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.645 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.484 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 35.0 m-85 -65.52 -47.64 75.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.956 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.682 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -65.82 -30.46 71.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.602 0.239 . . . . 0.0 111.191 -179.064 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.51 -55.44 20.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.2 p -65.33 -27.23 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.685 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.682 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 20.9 mtp180 -54.47 -44.4 72.55 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -104.01 -35.25 8.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.771 0.32 . . . . 0.0 111.437 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 12.5 t70 -79.29 -30.69 43.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.145 -172.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 80.5 mt 68.25 36.76 3.02 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.703 0.763 . . . . 0.0 109.383 -169.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.14 57.68 2.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.532 -177.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -63.47 -35.31 80.02 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -174.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -60.43 -52.03 66.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.275 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.408 ' CH2' HG12 ' A' ' 15' ' ' ILE . 24.7 t90 -72.09 -38.23 69.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.359 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.796 ' HD1' HG22 ' A' ' 15' ' ' ILE . 54.6 t80 -58.59 -52.54 65.22 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.92 -23.97 66.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.666 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 m -79.43 -48.2 14.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.076 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -67.64 -33.73 75.55 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.344 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.449 HD13 ' CZ ' ' A' ' 28' ' ' PHE . 52.7 mt -62.51 -47.71 82.75 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.577 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 3.9 ttmp? -69.35 -12.89 62.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.204 0.526 . . . . 0.0 110.762 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -46.81 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.213 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -105.91 -44.16 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.476 -171.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -81.21 79.96 7.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.384 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -75.13 -17.75 16.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.284 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 m -108.47 -85.93 0.52 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -170.87 151.31 3.35 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 122.298 -0.251 . . . . 0.0 110.924 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.54 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 37.1 p90 -125.2 146.84 49.33 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.739 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.6 mp -110.51 116.61 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.208 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.895 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 19.2 t80 -103.39 112.4 25.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.87 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.441 ' CD1' ' HD2' ' A' ' 107' ' ' ARG . 97.4 m-85 -84.17 115.36 22.38 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.17 156.07 39.32 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.298 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.602 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 73.33 -53.18 0.7 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.559 0.744 . . . . 0.0 111.297 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 m -76.89 -21.71 54.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.442 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 56.12 30.16 15.9 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.969 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -93.43 117.78 30.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.969 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.658 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 4.1 t -110.94 124.41 67.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.615 0.245 . . . . 0.0 110.767 -175.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.442 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 22.8 m170 -112.59 97.67 6.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.844 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.547 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.3 mp -85.69 101.7 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.4 t -86.01 112.71 22.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.785 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -72.62 -172.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.037 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -76.7 65.22 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.084 0.469 . . . . 0.0 110.834 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.1 t30 82.24 9.26 0.8 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.702 165.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -92.63 -71.58 0.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.648 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -146.53 174.9 10.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.823 0.344 . . . . 0.0 110.206 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.1 m -114.76 129.35 56.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.298 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.547 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 54.5 t -87.52 121.82 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 176.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' HG ' ' CD2' ' A' ' 50' ' ' HIS . 3.1 tt -104.35 115.27 30.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.032 -174.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.658 ' HB2' ' HB ' ' A' ' 49' ' ' VAL . 46.7 mt -105.36 164.84 11.55 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.11 0.481 . . . . 0.0 110.685 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.765 176.599 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.602 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 56.3 mt . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.665 0.745 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.32 87.16 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.12 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.0 m -110.1 7.66 23.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.575 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 95.4 t -73.28 127.52 35.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.336 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -113.92 145.81 40.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.256 -174.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -69.63 89.36 0.53 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.261 0.553 . . . . 0.0 110.295 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.528 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 28.1 t -153.89 162.29 41.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.517 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -135.09 66.02 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -103.68 102.74 12.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.405 0.621 . . . . 0.0 111.031 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -73.9 -23.57 59.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.082 177.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -75.45 -40.83 57.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.845 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.25 -37.38 85.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.413 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.45 -48.3 85.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -56.32 -47.38 78.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.889 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.2 m -63.37 -37.41 87.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.421 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.8 m -63.54 -44.28 94.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.699 0.285 . . . . 0.0 110.41 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -59.98 -36.76 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.356 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -68.82 -31.05 69.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.362 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -68.93 -41.05 78.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.902 0.382 . . . . 0.0 110.451 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 tp -72.95 -30.79 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 109.885 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -71.95 -42.78 66.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.168 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.5 m -84.63 -51.47 6.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.094 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.61 ' O ' ' HB3' ' A' ' 90' ' ' GLU . 16.0 tpp180 -100.32 -79.11 0.5 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.929 -172.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.61 ' HB3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER 161.86 -38.05 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.589 0.756 . . . . 0.0 110.061 174.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.8 pt 40.01 -131.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.805 0.842 . . . . 0.0 112.032 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.452 ' HB ' ' OE1' ' A' ' 95' ' ' GLU . 39.9 m -149.49 148.19 29.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.443 ' HB2' HD22 ' A' ' 23' ' ' LEU . 17.0 t80 -63.35 -30.8 71.87 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 -174.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 98' ' ' ARG . 27.7 tt0 -57.68 -51.9 67.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.07 173.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.452 ' OE1' ' HB ' ' A' ' 92' ' ' THR . 4.2 mp0 -67.35 -28.78 68.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.491 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -59.62 -52.31 66.08 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.522 ' HA ' HD11 ' A' ' 100' ' ' LEU . 85.3 mtt180 -72.38 -28.33 62.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.074 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 94' ' ' GLN . 36.8 ttt180 -61.39 -48.62 80.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.321 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -72.37 -29.34 63.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.969 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.522 HD11 ' HA ' ' A' ' 97' ' ' ARG . 57.8 mt -63.05 -41.24 99.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.524 174.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 70' ' ' VAL . . . -62.64 -35.78 80.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.313 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -69.99 -26.65 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.822 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.21 -20.96 47.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.528 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 111.67 10.25 19.52 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.609 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.4 t -76.57 115.41 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.124 0.487 . . . . 0.0 109.909 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -107.55 -26.48 10.88 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.297 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.441 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -118.82 112.78 20.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.09 0.471 . . . . 0.0 111.439 -178.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.895 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 10.2 t-105 -94.77 98.24 10.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.737 173.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.3 t -111.5 104.14 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.064 0.459 . . . . 0.0 110.721 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.602 HG23 ' HG2' ' A' ' 117' ' ' ARG . 55.9 m -99.07 104.1 16.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.156 0.503 . . . . 0.0 110.676 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -90.39 94.04 9.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.3 tp -77.07 -17.05 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.883 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.73 -28.59 69.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.581 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -107.19 -5.93 17.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.602 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 59.52 47.97 10.26 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.504 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -139.45 133.4 30.92 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.783 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.602 ' HG2' HG23 ' A' ' 110' ' ' THR . 42.0 mtm180 -100.74 117.87 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.267 176.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -100.57 135.6 41.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -177.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.433 ' HE1' ' CZ3' ' A' ' 108' ' ' TRP . 90.4 m-85 -117.0 116.68 27.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.602 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -116.36 137.55 52.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.355 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.857 ' HB ' HD11 ' A' ' 127' ' ' LEU . 12.6 t -80.47 -178.62 6.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 171.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -59.95 -29.38 68.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.991 0.36 . . . . 0.0 111.4 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.78 -16.63 61.68 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.9 t30 71.53 17.82 5.57 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.906 0.86 . . . . 0.0 109.654 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.3 t -82.93 137.89 34.04 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.406 174.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.53 112.88 4.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.384 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.857 HD11 ' HB ' ' A' ' 121' ' ' THR . 96.4 mt -90.58 -54.5 3.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.006 177.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -141.75 159.64 41.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.561 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.9 m -146.26 112.81 5.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.359 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -92.41 108.3 19.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.7 m -84.38 111.16 19.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.794 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.8 pt -92.89 120.39 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.469 0.652 . . . . 0.0 111.402 -174.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.682 HE21 ' HA ' ' A' ' 133' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.401 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 120.582 0.23 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.69 -31.1 72.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.637 -175.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.55 -34.88 59.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.838 0.351 . . . . 0.0 110.401 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.99 -41.78 92.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.019 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.4 mp -64.07 -53.74 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.632 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.541 ' HB3' HD13 ' A' ' 61' ' ' LEU . 70.7 m-85 -65.45 -43.34 90.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.551 -176.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' HD11 ' A' ' 61' ' ' LEU . 57.8 tttp -60.68 -42.21 96.67 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.49 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.13 -40.09 84.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.467 HG22 ' HD1' ' A' ' 28' ' ' PHE . 64.8 mt -63.11 -54.63 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.843 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 63.4 m-85 -65.15 -37.23 86.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.196 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -69.7 -22.3 63.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.558 -178.029 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -86.65 -41.91 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 111.294 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.23 -20.51 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 16' ' ' PHE . 62.7 mtt180 -65.07 -32.24 73.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.497 176.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -105.9 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.57 -28.33 45.89 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.086 -172.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' CD2' ' HB2' ' A' ' 93' ' ' PHE . 71.9 mt 63.98 31.73 13.51 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.177 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -86.55 83.54 7.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.531 0.682 . . . . 0.0 110.944 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 83.6 m-85 -74.66 -23.52 58.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.82 -178.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -59.94 4.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -68.53 -35.56 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.304 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 61.0 t80 -56.9 -56.89 15.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.727 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -72.37 -22.41 61.15 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.4 m -64.18 -51.21 64.89 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.694 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.97 -30.54 69.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.155 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 73.2 mt -60.59 -56.31 22.86 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.324 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.76 -19.22 64.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.062 0.458 . . . . 0.0 111.509 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -97.1 -4.66 38.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -131.57 -60.89 0.92 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.196 0.522 . . . . 0.0 110.813 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -93.97 94.13 8.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.552 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 t -88.83 5.34 4.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.706 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 m -110.61 -88.39 0.51 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.144 -0.348 . . . . 0.0 111.883 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -170.1 160.43 8.08 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.583 0.23 . . . . 0.0 111.039 -175.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.489 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 50.0 p90 -136.66 146.38 45.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 174.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.21 113.75 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.185 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.744 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 4.0 t80 -96.45 115.55 27.62 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.672 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -90.61 119.16 30.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.248 0.547 . . . . 0.0 110.758 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 97' ' ' ARG . 96.0 mt -88.28 103.18 15.55 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.767 -175.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 44' ' ' LEU . . . 151.47 -69.45 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 125.223 1.577 . . . . 0.0 108.497 -176.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.2 p -83.18 -13.49 55.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 62.37 30.32 17.37 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.1 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -86.31 109.29 18.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.186 178.517 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.39 115.21 33.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.93 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -99.56 98.4 9.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mp -90.31 110.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.292 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -91.78 101.63 12.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.49 164.49 21.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.885 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -67.74 -18.93 65.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.343 0.592 . . . . 0.0 110.521 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 24.4 t-20 -82.7 5.84 19.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.707 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 35.0 t70 77.42 -15.21 0.77 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.894 0.878 . . . . 0.0 111.257 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -65.36 106.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.369 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 m -87.88 116.47 26.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 t -100.18 111.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.471 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.715 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.1 pt? -96.58 121.89 38.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.24 0.543 . . . . 0.0 110.555 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 12' ' ' PHE . 28.7 mt -103.89 105.42 15.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.484 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.0 pttt . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 171.777 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.4 mm . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.7 p -83.37 90.94 2.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.048 0.928 . . . . 0.0 111.721 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.5 p -111.61 8.3 20.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.328 172.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG22 ' HB1' ' A' ' 101' ' ' ALA . 19.6 t -84.77 135.5 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.447 -176.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -115.85 158.46 22.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.193 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -77.2 81.9 3.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.339 0.59 . . . . 0.0 110.131 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.51 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 57.6 m -155.7 166.26 34.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.703 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.51 ' HB2' HD23 ' A' ' 127' ' ' LEU . 50.5 pttt -146.13 87.1 1.73 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.577 0.703 . . . . 0.0 109.666 173.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -118.86 118.72 32.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.884 -174.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -78.73 -27.56 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.532 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -66.74 -38.56 86.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.702 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.4 tp -64.29 -43.35 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.23 -51.08 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.218 0.532 . . . . 0.0 109.722 175.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -53.54 -44.04 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.745 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -69.87 -36.86 75.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.848 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.9 m -67.65 -38.73 84.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.9 m -59.62 -45.61 91.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.003 0.43 . . . . 0.0 110.44 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -70.79 -29.09 65.18 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.417 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -63.87 -42.47 97.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.174 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.9 tp -68.49 -36.28 78.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.959 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.51 -52.81 62.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.415 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.5 m -82.97 -55.25 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -95.08 -22.89 17.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -171.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 73.72 -40.93 0.47 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.272 0.629 . . . . 0.0 112.273 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.8 pt 43.44 -148.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.498 0.719 . . . . 0.0 111.419 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.469 ' HB ' ' OE2' ' A' ' 95' ' ' GLU . 50.9 m -119.8 150.31 40.63 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 171.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.51 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 9.9 t80 -57.87 -22.93 50.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.761 0.315 . . . . 0.0 111.172 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.401 ' HB2' ' OE2' ' A' ' 95' ' ' GLU . 12.5 mm-40 -62.52 -55.64 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.469 ' OE2' ' HB ' ' A' ' 92' ' ' THR . 2.4 mp0 -63.33 -36.85 85.08 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.701 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -56.35 -47.92 77.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.798 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.602 ' HB3' HD22 ' A' ' 44' ' ' LEU . 55.0 mtm-85 -75.29 -22.07 58.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.926 0.393 . . . . 0.0 110.891 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.632 ' HA ' ' HE ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -80.12 -34.99 37.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.991 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -37.04 84.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 110.202 175.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.93 -38.61 89.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.481 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.452 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -63.74 -30.63 71.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.959 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.25 -30.44 67.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.086 0.469 . . . . 0.0 110.605 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.32 57.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.611 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 95.77 7.79 58.61 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.728 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.72 115.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.034 0.445 . . . . 0.0 110.024 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -115.03 -24.45 8.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.549 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 41.7 ttm180 -121.64 103.51 8.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.241 0.543 . . . . 0.0 110.877 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.744 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.5 t90 -96.51 106.67 18.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.273 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 107' ' ' ARG . 48.4 t -110.04 104.87 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.781 0.324 . . . . 0.0 111.104 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.489 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 41.5 m -92.48 114.9 27.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 174.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -94.14 107.61 19.53 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.5 mm -64.95 -47.88 86.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -72.93 -27.61 61.95 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.332 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -91.35 -10.56 40.78 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.494 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 64.45 35.49 9.49 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.82 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.59 154.62 47.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.98 0.419 . . . . 0.0 111.766 -176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.484 ' HB2' ' HG2' ' A' ' 130' ' ' GLU . 86.2 mtt180 -113.59 114.87 27.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.369 170.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.437 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 75.6 m-85 -97.73 113.58 25.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.529 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -97.61 105.25 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.342 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.605 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 92.3 m-85 -103.14 141.0 36.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.979 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.479 ' HB ' HD12 ' A' ' 127' ' ' LEU . 9.7 t -80.16 171.05 15.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.481 175.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -66.55 -10.33 44.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.843 0.354 . . . . 0.0 111.417 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -95.76 13.22 27.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.099 0.476 . . . . 0.0 110.64 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 73.2 4.74 4.97 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.139 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.6 t -88.23 146.11 25.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.846 0.355 . . . . 0.0 110.577 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 62.6 tp -85.84 124.83 32.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.132 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 74' ' ' LYS . 84.6 mt -103.73 -47.13 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.465 -178.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -140.72 149.69 42.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.495 -174.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 54.6 m -147.54 120.0 8.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.218 176.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.484 ' HG2' ' HB2' ' A' ' 117' ' ' ARG . 14.3 pt-20 -115.27 174.3 6.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.016 178.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.4 m -127.61 129.21 46.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.293 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.5 pt -94.96 30.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -172.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 121.258 0.551 . . . . 0.0 110.75 177.547 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 N--CA 1.461 0.109 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.528 ' HA ' HD13 ' A' ' 11' ' ' ILE . 7.0 tp60 -56.02 -29.29 60.16 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.659 0.384 . . . . 0.0 111.71 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.2 t -56.49 -36.84 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 121.141 0.496 . . . . 0.0 110.655 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.559 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 57.4 t -66.42 -47.21 84.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.528 HD13 ' HA ' ' A' ' 8' ' ' GLN . 3.2 mp -57.29 -51.55 68.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.591 ' HB3' HD12 ' A' ' 61' ' ' LEU . 25.6 m-85 -63.58 -38.96 93.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.383 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 1.3 ttmm -60.01 -46.06 90.72 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.353 176.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 10' ' ' VAL . 80.1 mm-40 -57.71 -35.73 71.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.058 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.587 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 78.7 mt -61.46 -57.31 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.724 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -68.4 -35.66 78.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.345 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HA ' ' CD ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -74.66 -15.44 60.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.191 -175.639 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -87.01 -50.01 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 0.0 110.121 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.68 ' HB ' ' HE1' ' A' ' 27' ' ' TRP . 12.4 p -71.89 -24.13 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -173.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' A' ' 17' ' ' ASP . 13.3 ptm180 -58.48 -25.02 61.87 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.46 -45.83 3.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.651 0.262 . . . . 0.0 111.62 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -76.84 -22.61 53.31 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -172.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt 62.57 17.3 9.53 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.289 0.368 . . . . 0.0 111.908 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.487 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 13.5 p-10 -80.27 75.67 7.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.365 0.602 . . . . 0.0 110.224 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -59.24 -29.47 67.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.746 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -32.15 65.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.68 ' HE1' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -79.02 -41.31 29.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.44 0.638 . . . . 0.0 109.936 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.453 ' CE2' HD13 ' A' ' 32' ' ' LEU . 46.7 t80 -77.98 -40.23 39.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.221 -167.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 32' ' ' LEU . 56.4 m-85 -69.01 -21.92 64.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.022 0.439 . . . . 0.0 110.471 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.8 m -71.91 -47.43 52.65 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 171.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.45 -42.61 74.49 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD13 ' CE2' ' A' ' 28' ' ' PHE . 93.4 mt -57.56 -57.48 12.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.216 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.41 -29.9 70.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.031 0.444 . . . . 0.0 110.844 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 34' ' ' ARG . 15.5 mmm-85 -71.91 -47.58 51.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.932 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -108.46 -53.69 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.067 0.461 . . . . 0.0 111.121 -168.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -89.33 79.56 7.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.402 0.62 . . . . 0.0 110.402 -177.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.41 -19.13 19.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.426 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.552 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 17.6 t -103.2 -86.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.514 -175.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -171.21 153.03 3.54 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.488 0.185 . . . . 0.0 110.76 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.52 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 43.1 p90 -124.08 144.66 49.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.378 . . . . 0.0 110.576 176.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.0 mt -115.73 109.06 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.071 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.766 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.6 OUTLIER -99.24 109.98 22.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.129 -176.391 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -88.72 113.17 23.99 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.82 -35.33 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.594 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . -67.34 -38.94 85.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.8 p -100.08 -6.76 25.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.527 ' OE2' HG13 ' A' ' 67' ' ' ILE . 46.8 mt-10 59.45 20.58 8.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.16 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 95.8 m-20 -86.03 116.37 24.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.2 0.524 . . . . 0.0 110.647 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.0 t -99.66 106.98 19.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.836 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -91.57 93.21 8.84 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.544 -0.098 . . . . 0.0 110.988 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.49 102.56 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.552 ' O ' ' HB3' ' A' ' 38' ' ' SER . 14.0 t -87.98 114.05 26.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.7 mt -79.8 168.68 18.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.53 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -81.4 -3.86 54.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.729 0.776 . . . . 0.0 109.422 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -101.81 25.96 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.509 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 t70 76.46 -32.4 0.2 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.342 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.48 126.68 28.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.909 0.385 . . . . 0.0 111.764 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.5 m -103.88 113.12 26.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.57 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.7 t -90.35 103.25 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -99.63 122.5 42.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.575 0.703 . . . . 0.0 110.79 -178.166 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 12' ' ' PHE . 8.8 mt -110.13 -175.23 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.866 -176.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 66.0 mttm . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.288 167.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 70.3 mt . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.306 0.574 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 t -86.55 24.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.993 0.902 . . . . 0.0 109.675 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 67' ' ' ILE . 47.3 m -98.61 11.92 36.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.242 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 HG23 ' HB3' ' A' ' 101' ' ' ALA . 80.3 t -66.27 134.5 29.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.183 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 75.3 mmtt -85.87 134.71 33.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.092 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -80.2 80.76 6.58 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.5 m -138.43 171.62 14.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.168 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.486 ' HG2' HG22 ' A' ' 121' ' ' THR . 96.3 mttt -141.9 78.38 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -134.83 131.73 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.514 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.455 ' CG ' ' HD1' ' A' ' 128' ' ' PHE . 33.0 ttp180 -92.84 -18.16 23.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.342 178.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -65.18 -42.22 93.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.014 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 26.3 tp -65.6 -37.98 88.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.882 0.372 . . . . 0.0 110.339 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.96 -49.61 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.306 0.574 . . . . 0.0 109.682 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -54.95 -47.47 74.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.023 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.4 m -65.46 -39.19 91.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.969 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.5 m -70.27 -36.2 74.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.975 0.417 . . . . 0.0 110.451 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.0 t -66.21 -40.4 90.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.737 175.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.31 -46.56 88.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.012 175.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -62.65 -40.06 95.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.33 -35.24 79.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -72.34 -39.88 67.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.815 0.341 . . . . 0.0 111.461 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.2 m -89.55 -32.11 17.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -175.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -100.42 -33.14 10.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 59.81 74.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.88 0.848 . . . . 0.0 109.014 -168.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 37.3 pt -87.63 166.8 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.008 -176.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -64.61 139.66 58.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.16 176.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.482 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 30.7 t80 -55.89 -30.61 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.06 0.457 . . . . 0.0 111.05 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -63.33 -41.55 98.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.297 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -40.09 70.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.443 0.64 . . . . 0.0 109.686 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -55.69 -44.46 77.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.391 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.525 ' HA ' HD11 ' A' ' 100' ' ' LEU . 25.1 mtp85 -73.57 -28.04 61.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.678 -177.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 71.8 mtt-85 -59.43 -47.99 83.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.982 0.42 . . . . 0.0 110.728 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.555 ' HA ' ' HD2' ' A' ' 102' ' ' LYS . 48.6 m-80 -74.47 -24.65 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.956 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 97' ' ' ARG . 71.0 mt -63.0 -43.93 97.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.888 0.375 . . . . 0.0 110.201 171.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.471 ' HB3' HG23 ' A' ' 70' ' ' VAL . . . -63.7 -30.43 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.67 176.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 99' ' ' ASN . 95.3 mttt -71.05 -29.37 65.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.753 177.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 78' ' ' LEU . . . -82.07 -10.25 59.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.474 ' O ' ' HA ' ' A' ' 121' ' ' THR . . . 103.11 9.42 39.38 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.779 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.1 t -72.73 99.79 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.312 0.577 . . . . 0.0 110.148 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -97.32 -31.13 12.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.889 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.664 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 42.4 ttm180 -124.01 104.92 9.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.219 0.533 . . . . 0.0 111.132 -173.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.766 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 3.6 t-105 -92.85 109.39 20.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.341 177.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.4 t -111.64 128.32 68.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.687 0.28 . . . . 0.0 110.58 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.52 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 57.7 m -127.34 112.1 14.64 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.961 0.41 . . . . 0.0 110.494 175.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -95.16 111.35 23.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.352 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.6 mm -65.28 -56.57 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.132 -172.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -79.47 9.24 5.04 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.235 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -109.52 -20.53 12.84 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 64.11 39.61 7.57 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.288 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -131.95 148.42 52.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.972 0.415 . . . . 0.0 111.737 -176.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.435 ' NH2' ' HG2' ' A' ' 130' ' ' GLU . 15.7 mtm180 -121.28 112.43 18.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -101.66 126.15 48.45 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.942 0.401 . . . . 0.0 110.406 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -104.72 103.45 13.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.145 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.664 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 94.8 m-85 -104.21 143.55 32.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.066 0.46 . . . . 0.0 110.988 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.486 HG22 ' HG2' ' A' ' 74' ' ' LYS . 10.1 t -82.3 -178.71 7.15 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 172.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -61.3 -21.3 63.82 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.124 0.488 . . . . 0.0 111.383 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -97.44 21.2 10.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.273 0.558 . . . . 0.0 110.323 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.439 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 2.3 p-10 49.4 25.17 1.23 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.413 1.085 . . . . 0.0 112.236 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.472 ' HB2' HG21 ' A' ' 121' ' ' THR . 5.1 m -77.66 125.28 29.09 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -70.67 110.77 5.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.274 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.467 HD13 ' HB ' ' A' ' 121' ' ' THR . 89.6 mt -91.01 -56.44 3.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.764 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.455 ' HD1' ' CG ' ' A' ' 76' ' ' ARG . 24.2 t80 -124.96 145.38 49.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -176.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.7 m -131.54 107.52 8.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.957 0.408 . . . . 0.0 110.341 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.435 ' HG2' ' NH2' ' A' ' 117' ' ' ARG . 7.5 tp10 -112.4 153.8 26.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.881 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.6 t -122.37 127.97 50.4 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' A' ' 133' ' ' GLN . 13.8 pt -86.85 50.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.796 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.432 ' HB3' ' O ' ' A' ' 132' ' ' ILE . 6.6 tp-100 . . . . . 0 N--CA 1.465 0.305 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.233 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 N--CA 1.462 0.164 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -56.58 -37.67 70.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 110.797 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.39 -33.92 52.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.967 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.8 t -68.32 -38.84 80.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.13 -50.18 81.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.044 0.45 . . . . 0.0 110.519 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' HB2' HD21 ' A' ' 61' ' ' LEU . 76.8 m-85 -68.09 -43.24 78.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.336 -178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -62.82 -32.88 74.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.523 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -59.75 -42.98 94.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.304 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.34 -52.25 60.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.246 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.466 ' HA ' HG13 ' A' ' 19' ' ' VAL . 81.8 m-85 -66.72 -29.53 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.568 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.85 -41.75 78.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.887 0.375 . . . . 0.0 110.267 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.73 -47.57 74.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.466 HG13 ' HA ' ' A' ' 16' ' ' PHE . 11.1 p -65.89 -27.12 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.773 0.32 . . . . 0.0 111.043 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.479 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 14.0 ttp180 -61.29 -35.87 78.5 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.064 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -103.66 -43.28 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.688 -174.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.78 -26.24 21.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -170.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 92' ' ' THR . 96.0 mt 62.44 31.83 16.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.017 0.437 . . . . 0.0 111.134 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -73.62 100.1 3.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.52 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -70.79 -37.68 73.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.677 0.275 . . . . 0.0 111.121 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -58.99 -56.92 16.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.14 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.2 t90 -70.36 -40.48 74.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.223 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.4 t80 -56.7 -57.87 10.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.572 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -69.44 -28.89 66.51 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.685 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -68.05 -44.07 77.25 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.622 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -68.67 -33.92 74.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.783 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 77.1 mt -59.75 -52.22 66.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 174.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.12 -26.1 68.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.146 0.498 . . . . 0.0 110.835 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -80.31 -21.29 42.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.948 -176.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -130.09 -56.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 111.097 -174.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.425 ' ND2' ' HD1' ' A' ' 40' ' ' TYR . 38.0 t30 -87.38 89.56 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.739 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.473 ' O ' ' HB2' ' A' ' 113' ' ' HIS . 48.4 t -78.78 -29.34 14.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.271 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 35.4 m -94.06 -82.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -175.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -169.98 146.53 3.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.669 0.271 . . . . 0.0 111.258 -174.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.503 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 48.2 p90 -116.12 137.78 51.83 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.481 HG21 HG22 ' A' ' 109' ' ' VAL . 48.5 mt -112.0 106.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.372 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.729 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -96.68 107.54 20.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.739 -177.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.22 107.8 18.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.92 159.97 29.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.501 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.671 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 75.39 -49.65 0.63 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.446 0.698 . . . . 0.0 111.193 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 m -84.76 -23.66 29.14 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 61.06 37.73 17.69 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.87 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -99.18 108.11 20.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.718 173.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -98.95 111.4 28.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.441 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -100.85 99.5 10.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.628 0.251 . . . . 0.0 110.452 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -89.17 110.16 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.034 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.462 ' O ' ' HB2' ' A' ' 38' ' ' SER . 43.8 t -91.25 109.37 21.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.24 -174.23 0.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.104 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -52.68 -65.09 0.62 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 -177.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -151.54 18.97 0.72 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.894 0.854 . . . . 0.0 108.789 175.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.96 -84.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.851 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -156.57 168.29 27.85 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.0 m -96.16 123.8 39.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.267 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -99.4 116.26 42.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.668 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.9 pt? -103.25 114.21 28.31 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.398 0.618 . . . . 0.0 111.229 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 12' ' ' PHE . 23.9 mt -85.61 88.97 7.6 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 172.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.4 pttt . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.558 -175.738 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.671 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 80.0 mt . . . . . 0 N--CA 1.464 0.225 0 CA-C-O 121.02 0.438 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.4 ' O ' HG11 ' A' ' 68' ' ' VAL . 5.8 p -156.91 97.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.695 0.759 . . . . 0.0 110.981 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -158.8 30.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.669 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.427 HG23 ' HB1' ' A' ' 45' ' ' ALA . 75.7 t -64.6 121.77 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.842 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HD2' ' O ' ' A' ' 102' ' ' LYS . 62.1 mttm -78.41 160.32 27.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.497 -176.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -85.65 2.01 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.594 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.0 m -89.95 161.1 16.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.669 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' HZ1' ' CG ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -137.83 110.63 7.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.01 0.434 . . . . 0.0 110.366 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -127.98 136.75 51.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.641 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -98.58 -23.57 15.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.61 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -68.42 -34.59 76.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.697 0.284 . . . . 0.0 110.992 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.8 tp -69.2 -34.77 75.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.99 -48.26 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -55.82 -54.24 46.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.437 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 p -63.9 -34.81 78.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.805 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.441 HG21 ' CD1' ' A' ' 96' ' ' TYR . 47.1 m -70.28 -39.27 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 110.618 177.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -59.81 -51.72 68.54 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.285 174.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -63.61 -33.15 74.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.497 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -60.74 -48.89 79.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.112 177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.64 -44.61 89.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.481 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.62 -35.31 72.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.548 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 m -92.35 -48.8 6.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -98.44 -17.73 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -170.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 58.85 71.41 0.59 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.425 0.631 . . . . 0.0 109.968 -171.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 36.7 pt -89.01 160.57 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.898 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.521 ' HB ' ' HG2' ' A' ' 95' ' ' GLU . 4.1 m -60.4 142.8 54.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.721 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.479 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 41.3 t80 -60.81 -27.64 68.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.945 0.403 . . . . 0.0 110.904 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -69.01 -39.31 79.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.521 ' HG2' ' HB ' ' A' ' 92' ' ' THR . 12.9 mm-40 -70.98 -36.47 72.53 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.122 0.487 . . . . 0.0 110.168 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.441 ' CD1' HG21 ' A' ' 82' ' ' THR . 69.3 t80 -60.27 -52.0 67.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.409 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 97' ' ' ARG . 34.5 mtm180 -72.14 -26.2 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.632 -178.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.572 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 13.8 ttm-85 -58.14 -56.38 22.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 178.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -66.41 -34.22 77.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.377 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.483 ' HG ' ' HB ' ' A' ' 105' ' ' VAL . 16.3 tp -64.76 -38.65 91.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.403 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.94 72.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.65 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 72.8 mmtt -68.42 -24.85 64.79 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.105 0.479 . . . . 0.0 110.006 176.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.07 -16.44 56.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.047 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.51 7.35 39.88 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.594 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.483 ' HB ' ' HG ' ' A' ' 100' ' ' LEU . 61.3 t -76.95 107.92 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.235 0.54 . . . . 0.0 110.617 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -104.69 -29.65 10.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.524 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.903 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 37.7 ttt180 -118.52 105.43 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.753 -174.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.729 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.8 t90 -92.57 105.43 17.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.568 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.481 HG22 HG21 ' A' ' 41' ' ' ILE . 61.0 t -112.38 114.64 47.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 122.167 -0.333 . . . . 0.0 110.491 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 117' ' ' ARG . 95.2 m -117.93 111.2 18.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.117 0.484 . . . . 0.0 111.149 178.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.499 ' HB3' ' HG2' ' A' ' 114' ' ' GLU . 7.7 m120 -88.12 103.81 16.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.695 175.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.427 HD13 HD11 ' A' ' 32' ' ' LEU . 48.3 mm -65.19 -38.46 82.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.295 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 57.1 t-80 -63.56 -29.21 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.906 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.499 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 38.1 mm-40 -95.69 -14.95 23.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.026 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 62.95 37.73 11.69 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.565 0.54 . . . . 0.0 110.691 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 58.4 mtpt -138.42 136.67 36.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.504 -175.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.505 ' HG2' HG23 ' A' ' 110' ' ' THR . 20.4 mtm180 -105.18 126.66 52.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.798 174.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -108.31 126.28 52.65 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.075 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -104.89 109.08 20.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.434 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.903 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 82.7 m-85 -102.97 139.38 38.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.752 ' HB ' HD12 ' A' ' 127' ' ' LEU . 5.0 t -80.37 174.37 11.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.69 174.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -63.85 -17.56 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.501 0.667 . . . . 0.0 110.553 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.415 ' CG ' ' HZ1' ' A' ' 74' ' ' LYS . 3.6 m-20 -72.02 -8.88 57.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.761 176.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 123' ' ' ASP . 25.7 m-80 68.56 25.15 6.74 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.701 0.626 . . . . 0.0 110.43 -174.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.9 t -104.21 139.59 39.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.456 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.3 tp -72.92 113.4 9.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.984 0.421 . . . . 0.0 110.602 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.752 HD12 ' HB ' ' A' ' 121' ' ' THR . 85.3 mt -86.08 -63.65 1.28 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.747 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -124.75 139.64 53.67 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.06 -173.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.9 m -117.79 105.11 11.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.959 0.409 . . . . 0.0 110.249 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -112.61 111.93 23.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 15.3 m -74.66 137.89 42.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.477 HG23 ' HG3' ' A' ' 117' ' ' ARG . 28.0 pt -88.64 6.02 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.125 0.488 . . . . 0.0 110.725 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.446 ' HA ' HD13 ' A' ' 11' ' ' ILE . 8.6 tt0 -64.17 -23.29 67.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.04 -170.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.62 -36.42 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.877 0.37 . . . . 0.0 110.432 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.7 t -61.69 -41.47 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 8' ' ' GLN . 2.5 mp -62.22 -54.76 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.523 ' HB2' HD23 ' A' ' 61' ' ' LEU . 72.2 m-85 -66.4 -40.16 89.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.486 -177.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' HD13 ' A' ' 61' ' ' LEU . 18.9 ttpp -62.34 -36.31 81.8 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.31 -37.77 88.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.86 -51.55 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.225 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.535 ' HA ' HG12 ' A' ' 19' ' ' VAL . 87.1 m-85 -69.9 -32.88 71.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.879 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.7 -39.46 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.533 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -91.5 -38.95 12.22 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.952 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -63.93 -29.04 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -175.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.559 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -70.56 -12.02 61.3 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 111.455 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 9.1 t30 -114.54 -54.48 2.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -177.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.8 -15.78 33.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.06 -173.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.7 mt 61.01 34.03 19.47 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.405 0.441 . . . . 0.0 112.044 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -79.43 86.95 5.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.616 0.722 . . . . 0.0 110.745 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 77.7 m-85 -80.0 -24.03 41.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.6 -176.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -58.18 -51.49 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.371 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -74.09 -31.57 62.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.911 0.386 . . . . 0.0 110.444 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.551 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.5 t80 -60.01 -57.64 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.395 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -66.38 -31.73 72.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.4 m -63.86 -46.68 83.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.9 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -68.74 -32.41 72.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.854 178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 76.6 mt -60.4 -49.37 77.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.922 0.392 . . . . 0.0 110.431 176.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -73.06 -12.14 60.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.591 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -100.04 -16.93 17.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.973 0.416 . . . . 0.0 111.359 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -127.57 -46.24 1.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.958 -0.463 . . . . 0.0 111.363 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.28 79.61 9.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.13 0.49 . . . . 0.0 109.853 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -70.88 -32.61 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.038 -176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 p -103.15 -82.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.244 -0.583 . . . . 0.0 111.917 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.48 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 48.0 p-80 -163.52 157.23 19.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.741 0.305 . . . . 0.0 111.286 -173.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 44.0 p90 -128.11 141.39 51.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 174.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -107.83 109.39 28.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.146 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.574 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.1 t80 -90.49 112.17 23.72 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.841 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -90.69 113.6 25.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.968 0.413 . . . . 0.0 109.914 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.97 158.77 35.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.851 -177.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.511 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . 69.36 -66.75 0.25 Allowed 'General case' 0 C--O 1.223 -0.303 0 O-C-N 124.014 0.821 . . . . 0.0 110.766 -173.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 m -60.52 -27.49 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.125 0.488 . . . . 0.0 110.428 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 46.6 mt-10 61.5 26.25 16.02 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.239 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.547 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -89.77 99.18 12.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.572 175.752 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.9 t -89.86 111.78 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.872 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -92.47 93.86 8.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.722 -177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.4 105.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.006 0.431 . . . . 0.0 110.642 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 t -87.29 114.25 26.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 172.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.37 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.281 0.563 . . . . 0.0 111.28 -176.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HG2' ' OD1' ' A' ' 55' ' ' ASN . 45.1 tttm -115.52 -65.61 1.17 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.09 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' OD1' ' HG2' ' A' ' 54' ' ' LYS . 4.5 p-10 -171.0 20.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.838 175.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -113.81 -33.8 5.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.714 -170.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -153.52 149.42 27.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.383 . . . . 0.0 110.772 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.5 m -120.24 106.04 11.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.802 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.61 103.17 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.17 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.775 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.9 pt? -93.48 118.75 31.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.256 0.551 . . . . 0.0 110.519 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.547 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 26.2 mt -90.86 175.83 6.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.95 -177.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.1 tttm . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.985 175.878 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.402 HD11 ' HA ' ' A' ' 67' ' ' ILE . 10.9 tp . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.76 136.97 59.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 120.861 0.363 . . . . 0.0 110.792 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 m -82.63 106.95 14.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.61 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.511 HG23 ' HB1' ' A' ' 45' ' ' ALA . 89.5 t -68.56 113.65 4.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -85.1 135.23 34.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.907 -174.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.458 ' HA ' ' HE1' ' A' ' 122' ' ' PHE . 16.2 p90 -67.43 90.22 0.24 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 122.119 0.962 . . . . 0.0 110.786 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.8 m -146.13 177.82 8.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.36 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -151.4 72.49 1.04 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.451 0.643 . . . . 0.0 109.832 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -115.16 120.82 41.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.091 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.51 ' HA ' HD12 ' A' ' 79' ' ' ILE . 28.9 ptt180 -92.17 -13.38 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.797 -176.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -71.47 -40.29 70.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.491 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 103' ' ' ALA . 42.1 tp -64.26 -42.65 96.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 76' ' ' ARG . 66.1 mt -57.4 -50.34 77.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.624 174.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.37 -50.08 63.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.109 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.9 m -62.18 -38.57 89.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.797 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.491 HG22 ' CD1' ' A' ' 96' ' ' TYR . 31.1 m -67.94 -45.4 74.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.714 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.2 m -58.06 -42.27 85.11 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -70.52 -40.14 73.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.732 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.722 ' HE3' HD11 ' A' ' 91' ' ' ILE . 36.2 ttpt -63.33 -41.56 98.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.314 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.494 HD11 ' HH ' ' A' ' 25' ' ' TYR . 54.1 tp -71.2 -41.87 69.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.882 -0.511 . . . . 0.0 110.567 177.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.601 ' HB2' ' HZ1' ' A' ' 87' ' ' LYS . 4.2 ttmp? -70.26 -39.33 75.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.683 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.5 m -94.89 -36.39 11.64 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -175.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 89' ' ' ARG . 20.6 ttt180 -97.35 -27.52 14.45 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.461 -173.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 62.95 70.34 0.55 Allowed 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.721 0.638 . . . . 0.0 110.172 -172.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.722 HD11 ' HE3' ' A' ' 85' ' ' LYS . 46.4 pt -85.48 -179.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.726 176.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.443 ' HB ' ' HG3' ' A' ' 95' ' ' GLU . 1.8 m -74.87 143.01 44.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.076 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.559 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 63.8 t80 -62.62 -30.37 71.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.996 0.426 . . . . 0.0 110.341 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 10.0 tt0 -64.96 -38.55 91.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.608 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.443 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 37.5 mt-10 -67.6 -34.48 77.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.358 0.599 . . . . 0.0 109.92 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.491 ' CD1' HG22 ' A' ' 82' ' ' THR . 38.0 t80 -64.49 -49.56 70.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.425 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 1.0 OUTLIER -65.89 -32.53 74.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.733 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 93.7 mtt-85 -67.33 -44.1 79.95 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.61 0.243 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.04 -42.41 99.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.1 mt -65.41 -39.24 91.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.067 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.59 96.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.426 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -79.16 -12.49 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.5 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.472 ' HB3' HD22 ' A' ' 78' ' ' LEU . . . -82.88 -14.45 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.171 0.51 . . . . 0.0 110.571 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.75 8.67 34.25 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.544 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.32 120.24 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.946 0.403 . . . . 0.0 110.179 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -118.94 -26.44 6.01 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.056 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.48 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 10.0 ttp85 -123.6 99.73 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.588 0.709 . . . . 0.0 110.501 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.574 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.3 t90 -97.74 99.55 10.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.534 -177.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 44.8 t -104.49 105.39 18.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.761 0.315 . . . . 0.0 111.219 -174.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.553 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 30.4 m -97.52 109.28 22.06 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.74 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.48 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 62.8 t30 -97.05 96.66 8.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.165 -177.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.7 mm -64.14 -29.11 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.266 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -61.5 -21.8 64.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.218 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -116.4 -8.45 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 60.84 33.76 19.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.389 0.614 . . . . 0.0 109.814 -173.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -120.73 150.5 40.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.603 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 129' ' ' THR . 39.0 ttm180 -121.29 108.51 13.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.829 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -94.46 133.53 37.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.079 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.74 113.62 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.474 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.48 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 77.3 m-85 -113.63 140.97 47.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.198 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.594 ' HB ' HD12 ' A' ' 127' ' ' LEU . 10.0 t -83.97 167.49 16.88 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.458 ' HE1' ' HA ' ' A' ' 72' ' ' PHE . 47.5 p90 -66.89 -20.69 65.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 110.924 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.26 0.73 20.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.658 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 54.1 t30 64.1 79.18 0.26 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.534 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.5 m -152.53 132.84 13.65 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.132 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.06 103.88 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.044 0.45 . . . . 0.0 109.807 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.594 HD12 ' HB ' ' A' ' 121' ' ' THR . 79.5 mt -80.09 -52.46 7.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.549 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -151.33 158.12 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.922 -177.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 61.5 m -149.8 111.58 4.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.235 177.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -104.88 157.98 16.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.0 t -119.41 132.17 55.78 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.611 -0.435 . . . . 0.0 109.909 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 6.6 pt -83.83 -0.4 5.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.539 0.685 . . . . 0.0 110.046 176.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 171.032 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.606 ' HA ' HD13 ' A' ' 11' ' ' ILE . 3.2 pt20 -67.6 -14.61 63.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.175 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.92 -38.69 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.88 -31.91 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.646 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.606 HD13 ' HA ' ' A' ' 8' ' ' GLN . 1.8 mp -67.14 -57.42 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.641 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.493 ' HB3' HD13 ' A' ' 61' ' ' LEU . 80.7 m-85 -66.67 -44.69 81.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.783 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.14 -36.2 82.83 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.47 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.67 -39.52 91.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.372 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 11' ' ' ILE . 67.6 mt -56.69 -54.85 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -66.79 -38.08 85.82 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.456 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.32 -46.06 78.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HE2' ' HB3' ' A' ' 18' ' ' LYS . 37.8 mtpt -75.11 -37.52 61.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.494 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.25 -22.59 31.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.707 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.574 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 12.3 mtm180 -56.53 -36.9 69.75 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.611 173.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -106.77 -41.86 5.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.776 -174.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.85 -32.31 72.73 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 93' ' ' PHE . 66.9 mt 61.19 28.63 18.22 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.499 0.499 . . . . 0.0 110.975 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -91.04 79.12 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.686 0.755 . . . . 0.0 110.67 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -64.9 -31.25 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.042 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -54.73 -55.9 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.591 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -67.98 -38.27 82.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.546 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.546 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 59.1 t80 -55.11 -55.88 26.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.2 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -70.53 -29.13 65.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.597 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.459 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 66.6 m -61.84 -51.75 66.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.745 0.307 . . . . 0.0 110.485 177.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.44 ' O ' ' HD2' ' A' ' 35' ' ' HIS . 49.8 mm-40 -68.6 -30.66 69.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.151 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 54.8 mt -58.9 -58.02 10.47 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.254 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -58.8 -34.95 72.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 111.463 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 30' ' ' SER . 78.0 mtp180 -66.41 -41.75 88.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.658 0.266 . . . . 0.0 111.648 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' HD2' ' O ' ' A' ' 31' ' ' GLU . 24.3 m-70 -103.78 -59.06 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.482 . . . . 0.0 110.236 -172.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -96.82 85.17 3.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.655 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.8 t -79.18 -17.6 13.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.727 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.535 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 14.8 m -93.21 -83.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.492 -175.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.597 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 7.5 p-80 -176.18 154.6 1.41 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.68 0.276 . . . . 0.0 111.562 -175.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 51.2 p90 -124.91 139.36 53.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.542 178.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.4 ' N ' HD11 ' A' ' 41' ' ' ILE . 4.5 mp -105.61 101.59 12.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.575 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.612 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 3.3 t80 -95.39 107.88 20.05 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.89 -175.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 106' ' ' PHE . 75.8 m-85 -88.02 124.7 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.521 174.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -77.31 -174.7 3.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.102 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' A' ' 67' ' ' ILE . . . 71.29 -66.93 0.28 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.403 0.681 . . . . 0.0 111.531 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.455 ' HG1' ' ND2' ' A' ' 48' ' ' ASN . 32.4 p -89.76 -18.5 26.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.264 0.554 . . . . 0.0 109.97 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' CD ' HH12 ' A' ' 20' ' ' ARG . 5.9 mt-10 65.1 50.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.632 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.602 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 94.9 m-20 -88.74 95.63 10.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.715 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 14.5 t -94.39 107.39 19.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.469 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -90.47 95.43 10.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 58' ' ' THR . 65.0 mt -92.38 106.0 17.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.315 -177.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' A' ' 38' ' ' SER . 44.8 t -86.03 110.57 20.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.1 mt -76.45 170.81 15.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.865 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -70.81 -7.52 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.32 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.474 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 4.3 t-20 -105.3 20.22 19.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.778 -178.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 11.7 t70 77.32 -35.7 0.22 Allowed 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.015 177.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -57.83 133.88 55.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 46.5 m -106.67 119.93 40.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.187 0.518 . . . . 0.0 110.96 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.9 t -91.31 103.08 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 3.7 pp -93.15 126.63 38.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.181 0.515 . . . . 0.0 110.435 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 40.5 mt -105.83 146.8 29.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.095 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt . . . . . 0 C--N 1.317 -0.826 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.119 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 37.7 mm . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.07 136.09 32.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.47 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 m -70.57 102.95 2.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.777 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.498 HG21 ' HB1' ' A' ' 101' ' ' ALA . 24.6 t -94.62 135.44 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.064 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -99.72 -175.52 3.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.002 0.429 . . . . 0.0 110.861 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.518 ' HD1' ' HB3' ' A' ' 122' ' ' PHE . 27.0 m-85 -109.68 21.02 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.51 0.671 . . . . 0.0 109.259 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.421 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 14.9 m -76.53 166.78 22.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.038 -175.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.77 80.95 1.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.815 176.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.456 ' HB2' ' HA ' ' A' ' 103' ' ' ALA . 4.1 m-20 -106.96 85.3 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.046 0.45 . . . . 0.0 111.088 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.513 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 42.6 ttm180 -69.27 -38.24 78.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.077 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -61.76 -30.58 70.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.9 tp -73.41 -36.58 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.07 -49.29 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.158 0.504 . . . . 0.0 109.858 174.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 41.2 mt-10 -57.39 -48.43 79.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.0 p -66.5 -38.65 87.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.382 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.463 HG23 ' CD1' ' A' ' 96' ' ' TYR . 88.3 m -64.35 -39.95 94.9 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.614 0.245 . . . . 0.0 110.96 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -60.87 -50.03 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -62.39 -39.34 92.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.707 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.571 ' HE2' HG23 ' A' ' 91' ' ' ILE . 81.3 tttt -61.98 -36.62 82.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.337 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.474 ' HA ' HG12 ' A' ' 91' ' ' ILE . 61.3 tp -69.12 -39.66 78.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.995 0.426 . . . . 0.0 110.586 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -75.2 -31.0 60.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.116 0.484 . . . . 0.0 111.041 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.4 p -79.41 -68.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.06 -175.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 89' ' ' ARG . 0.4 OUTLIER -93.76 -2.2 54.02 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -173.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 43.0 mt-10 52.61 67.61 0.96 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.41 0.624 . . . . 0.0 110.707 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.571 HG23 ' HE2' ' A' ' 85' ' ' LYS . 48.2 pt -75.75 175.84 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.064 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.551 ' HB ' ' HG3' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -73.15 142.85 47.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.694 179.64 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.574 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 54.8 t80 -66.8 -24.16 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 110.663 -176.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -66.03 -30.33 70.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.003 174.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.551 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 38.2 mt-10 -75.68 -42.9 49.89 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.16 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.463 ' CD1' HG23 ' A' ' 82' ' ' THR . 73.0 t80 -55.17 -43.08 73.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.446 ' HD2' ' CE2' ' A' ' 93' ' ' PHE . 33.9 mtp180 -70.58 -36.97 73.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.444 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -72.32 -35.65 68.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 111.255 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.42 ' N ' HD21 ' A' ' 99' ' ' ASN . 0.9 OUTLIER -67.87 -35.12 77.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.109 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.4 mt -64.55 -37.51 87.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.889 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.498 ' HB1' HG21 ' A' ' 70' ' ' VAL . . . -58.37 -42.33 86.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.198 0.523 . . . . 0.0 110.667 177.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -68.4 -27.45 66.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.037 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . . . -77.77 -8.24 57.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.365 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 96.61 7.63 57.77 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.355 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.32 102.62 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.078 0.466 . . . . 0.0 110.304 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 55.0 t80 -103.04 -19.14 14.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.236 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.825 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 21.6 ttt180 -118.7 100.17 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.227 0.537 . . . . 0.0 110.912 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.7 t90 -95.89 103.02 14.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.112 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.478 HG21 ' HG2' ' A' ' 107' ' ' ARG . 59.9 t -112.51 101.44 12.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.994 0.426 . . . . 0.0 110.88 -177.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.525 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 93.5 m -102.65 111.02 23.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.025 0.44 . . . . 0.0 110.513 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.597 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 91.5 m-20 -86.57 109.07 18.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.056 175.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.3 mm -64.88 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.18 0.514 . . . . 0.0 110.328 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -63.74 -27.36 69.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.651 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.55 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 2.3 mp0 -93.31 -20.78 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.437 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 61.21 35.62 18.28 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.563 0.697 . . . . 0.0 109.9 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.556 ' HG2' ' HB3' ' A' ' 131' ' ' SER . 94.6 mttt -131.55 133.51 45.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.915 -176.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 117' ' ' ARG . 6.6 mtp180 -102.14 102.22 12.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.341 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -87.91 129.7 35.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.528 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -112.4 114.07 26.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.004 0.43 . . . . 0.0 110.483 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.825 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 86.5 m-85 -111.73 143.08 43.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.387 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.486 ' HB ' HD13 ' A' ' 127' ' ' LEU . 9.5 t -78.77 170.21 17.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 171.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.518 ' HB3' ' HD1' ' A' ' 72' ' ' PHE . 61.4 t80 -65.0 -26.03 68.11 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.199 0.524 . . . . 0.0 110.312 -178.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.74 -17.77 57.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.494 174.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 t30 71.11 77.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.527 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -155.92 144.02 19.86 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.716 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.487 HD12 ' HG1' ' A' ' 129' ' ' THR . 44.0 tp -72.1 103.6 3.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.893 -176.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.486 HD13 ' HB ' ' A' ' 121' ' ' THR . 37.8 mt -86.45 -41.11 14.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.984 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -154.66 148.48 25.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.859 0.361 . . . . 0.0 110.777 -176.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.487 ' HG1' HD12 ' A' ' 126' ' ' LEU . 37.7 m -128.06 100.22 5.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.053 175.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -89.76 92.92 9.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.255 0.55 . . . . 0.0 109.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' SER . . . . . 0.556 ' HB3' ' HG2' ' A' ' 116' ' ' LYS . 1.4 p -79.41 119.95 23.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.697 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.0 pt -86.72 62.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.062 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.907 179.83 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.544 ' HB2' HG23 ' A' ' 10' ' ' VAL . 7.7 m-20 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.68 -34.1 61.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.478 . . . . 0.0 110.511 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.78 -41.22 79.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.015 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 7' ' ' ASP . 92.3 t -62.62 -47.64 91.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.43 -176.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.7 mp -56.86 -54.35 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.684 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' O ' ' HD1' ' A' ' 16' ' ' PHE . 56.9 m-85 -65.2 -42.84 93.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.846 0.355 . . . . 0.0 111.46 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.543 ' HA ' HD13 ' A' ' 61' ' ' LEU . 46.7 tttm -63.53 -39.76 95.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.283 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -65.43 -32.62 74.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.572 0.225 . . . . 0.0 111.217 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 11' ' ' ILE . 73.3 mt -62.67 -55.9 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.249 177.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.504 ' HA ' HG11 ' A' ' 19' ' ' VAL . 78.2 m-85 -65.02 -38.05 89.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.288 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.95 -41.43 97.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.704 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -91.3 -30.53 16.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.504 HG11 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -66.68 -27.9 41.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 O-C-N 122.127 -0.358 . . . . 0.0 110.994 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 39.1 ptt180 -72.57 -7.72 51.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.818 0.342 . . . . 0.0 111.142 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -115.43 -47.16 2.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.682 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -78.05 -25.56 47.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.39 -174.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt 66.37 25.38 10.36 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.259 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -81.68 84.71 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.093 0.473 . . . . 0.0 109.862 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.522 ' HH ' ' HD1' ' A' ' 93' ' ' PHE . 84.7 m-85 -74.29 -25.3 59.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.483 -178.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.34 -56.03 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.741 0.305 . . . . 0.0 110.463 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -67.74 -38.19 83.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.472 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.492 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.5 t80 -54.52 -56.94 13.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.474 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -75.1 -20.61 59.39 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -176.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.464 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 72.4 m -71.05 -42.53 69.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 0.0 110.284 176.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -67.41 -38.56 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.054 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 54.3 mt -57.92 -46.92 84.26 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -72.66 -14.43 61.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 30' ' ' SER . 54.5 mtm180 -100.12 -3.48 31.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.108 -0.37 . . . . 0.0 111.596 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -130.31 -58.56 1.06 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.112 0.482 . . . . 0.0 110.793 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -86.3 89.52 7.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.291 -176.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.14 -23.31 15.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.662 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 35.4 t -100.79 -89.02 0.35 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.29 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.429 ' CB ' ' HA ' ' A' ' 111' ' ' ASN . 28.2 p-80 -174.25 158.6 3.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.67 -174.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.619 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 51.9 p90 -125.76 146.05 49.94 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.356 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.401 ' N ' HD13 ' A' ' 41' ' ' ILE . 4.6 mp -111.41 109.99 30.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.803 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.884 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -99.04 108.83 21.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.734 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -80.19 115.95 20.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.553 HD13 ' HB2' ' A' ' 108' ' ' TRP . 6.9 mp -72.68 -47.3 48.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -172.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.503 ' HB2' ' HE1' ' A' ' 106' ' ' PHE . . . -81.77 39.68 0.56 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.088 0.471 . . . . 0.0 111.532 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 m -166.15 -36.1 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.363 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.444 ' HG3' ' HH ' ' A' ' 42' ' ' TYR . 24.9 tt0 65.57 67.06 0.5 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.649 -174.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.589 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 48.5 t-20 -137.28 113.12 9.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.569 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 4.8 t -95.45 120.23 44.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.334 -176.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -101.9 97.7 8.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.474 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.32 109.81 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.669 0.271 . . . . 0.0 110.617 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 38' ' ' SER . 34.9 t -94.88 99.37 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.477 HD11 ' HB3' ' A' ' 56' ' ' ASP . 86.5 mt -52.45 -51.64 58.2 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.408 -175.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 33.7 ttpt -177.91 -70.08 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -152.54 16.81 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.002 0.906 . . . . 0.0 108.707 170.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.477 ' HB3' HD11 ' A' ' 53' ' ' LEU . 7.4 t70 -80.07 -60.58 2.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.297 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -167.5 166.62 14.17 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.101 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.2 m -107.28 121.66 45.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.698 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 t -96.26 119.93 44.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.508 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -105.71 117.16 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.148 0.499 . . . . 0.0 110.331 177.416 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.589 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 25.8 mt -107.14 107.96 19.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.852 -176.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.286 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.9 mt . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 121.689 0.757 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.2 t -76.1 94.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.287 0.565 . . . . 0.0 110.043 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 t -130.19 20.98 5.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.277 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.641 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 97.8 t -83.21 129.77 36.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.906 -177.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 21.3 mtmm -76.01 142.51 41.84 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 122' ' ' PHE . 23.0 p90 -76.88 50.8 0.74 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.601 0.715 . . . . 0.0 110.345 176.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -143.69 -169.23 3.03 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.297 -173.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.518 ' HG2' HD23 ' A' ' 127' ' ' LEU . 25.8 mtmm -134.79 81.92 1.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.468 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 8.7 t0 -96.74 87.61 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.899 -171.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -69.83 -31.8 69.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.0 0.429 . . . . 0.0 110.709 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -61.89 -38.82 89.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.183 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 26.0 tp -70.98 -33.77 70.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.462 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.18 -50.24 81.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.828 0.347 . . . . 0.0 110.194 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -54.68 -49.25 71.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.218 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 p -70.55 -33.38 71.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.977 -175.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.501 HG23 ' CD1' ' A' ' 96' ' ' TYR . 80.3 m -66.59 -47.42 72.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.662 0.268 . . . . 0.0 110.815 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.0 m -64.12 -32.86 74.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.696 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.17 -37.68 75.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.083 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.49 -38.75 81.27 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.816 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.17 -42.3 90.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.44 0.638 . . . . 0.0 110.005 176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -71.82 -27.12 62.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.89 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 t -64.88 -70.65 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.526 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.492 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 29.1 ttt180 -102.0 -77.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.401 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 10.9 mt-10 179.5 -46.12 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.572 -171.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.2 pt 43.87 -150.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 124.301 1.0 . . . . 0.0 112.129 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.7 m -133.0 144.09 49.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.522 ' HD1' ' HH ' ' A' ' 25' ' ' TYR . 68.0 t80 -58.58 -31.59 68.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.031 0.443 . . . . 0.0 110.734 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.37 -39.33 94.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.663 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.12 -38.48 61.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.056 0.455 . . . . 0.0 110.056 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.501 ' CD1' HG23 ' A' ' 82' ' ' THR . 56.2 t80 -56.09 -48.63 75.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.323 177.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -28.76 63.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.778 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -63.97 -45.58 88.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.979 0.419 . . . . 0.0 110.942 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -73.71 -29.87 62.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 48.3 mt -63.26 -43.09 98.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.86 0.362 . . . . 0.0 110.253 174.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.641 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -59.96 -42.44 94.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.166 0.507 . . . . 0.0 110.231 176.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 35.9 ttpt -68.96 -12.16 61.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.109 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 75' ' ' ASP . . . -90.48 -8.99 48.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.066 0.46 . . . . 0.0 110.558 176.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.64 1.25 40.1 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.05 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.414 HG22 HD13 ' A' ' 127' ' ' LEU . 61.1 t -71.66 108.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.246 0.546 . . . . 0.0 109.956 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.503 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 81.5 t80 -105.38 -25.0 12.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.929 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.561 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 15.3 mtp180 -122.1 98.48 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.948 -177.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.884 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.5 t90 -83.58 100.88 11.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.8 t -112.7 101.67 12.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.038 0.447 . . . . 0.0 111.001 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.619 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 37.5 m -98.6 110.85 23.38 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.538 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.429 ' HA ' ' CB ' ' A' ' 39' ' ' HIS . 6.9 m-20 -89.2 98.59 11.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.955 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 51.1 mm -66.96 -29.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -63.11 -16.4 59.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.236 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.598 ' HB3' ' HE2' ' A' ' 116' ' ' LYS . 47.6 mt-10 -125.68 -4.23 7.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.654 HE21 HD13 ' A' ' 132' ' ' ILE . 3.8 tp60 57.25 36.85 27.87 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.525 0.516 . . . . 0.0 110.815 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.598 ' HE2' ' HB3' ' A' ' 114' ' ' GLU . 48.3 mtmt -134.11 151.68 51.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.576 ' HD2' ' OH ' ' A' ' 119' ' ' TYR . 35.8 ttm180 -113.63 118.7 35.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.896 0.379 . . . . 0.0 110.382 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -97.88 135.76 39.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.677 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.576 ' OH ' ' HD2' ' A' ' 117' ' ' ARG . 77.1 m-85 -111.72 107.33 16.39 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.561 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 80.2 m-85 -109.36 143.86 38.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.588 ' HB ' HD11 ' A' ' 127' ' ' LEU . 8.9 t -90.06 175.24 7.24 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 171.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 72' ' ' PHE . 38.6 p90 -70.07 -15.81 63.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.249 0.547 . . . . 0.0 110.107 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.05 -5.59 51.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.779 175.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 64.11 16.32 9.91 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.214 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -86.94 124.94 33.69 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.21 114.57 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 110.31 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.588 HD11 ' HB ' ' A' ' 121' ' ' THR . 67.3 mt -83.36 -55.17 4.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.326 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -151.4 154.96 37.66 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.716 -175.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 46.6 m -134.14 108.0 8.05 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -107.94 114.87 29.11 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.165 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.6 m -69.7 123.48 21.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.644 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.654 HD13 HE21 ' A' ' 115' ' ' GLN . 4.6 pt -73.44 92.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.248 0.547 . . . . 0.0 111.653 -175.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 . . . . . 0 N--CA 1.465 0.324 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.832 175.276 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 120.358 0.123 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.6 ' HA ' HD13 ' A' ' 11' ' ' ILE . 8.1 pt20 -68.43 -11.51 59.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.459 HG12 HD23 ' A' ' 61' ' ' LEU . 60.9 t -54.24 -43.05 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.973 173.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.66 -39.87 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.926 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.6 HD13 ' HA ' ' A' ' 8' ' ' GLN . 1.9 mp -60.46 -53.87 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.766 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.518 ' HB3' HD13 ' A' ' 61' ' ' LEU . 10.6 m-85 -62.36 -42.37 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.279 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -67.67 -37.21 82.06 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.581 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.99 -35.47 66.82 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.816 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.449 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 53.2 mt -61.09 -49.93 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.498 176.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -68.98 -39.73 79.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.382 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.42 -28.74 69.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -72.07 -49.74 33.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.037 0.446 . . . . 0.0 110.402 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.97 -23.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.285 -172.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 41.0 ptt85 -67.89 -26.58 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.723 -177.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.442 HD21 ' HA ' ' A' ' 21' ' ' ASN . 5.9 m120 -113.27 -42.64 3.47 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.92 -26.99 30.92 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.199 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt 64.13 29.93 13.93 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.846 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -80.62 76.86 7.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.639 0.733 . . . . 0.0 110.769 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.538 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 75.1 m-85 -63.91 -21.73 66.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.919 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -54.95 -49.1 72.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.662 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.449 ' CZ3' ' HA ' ' A' ' 15' ' ' ILE . 38.6 t90 -84.29 -35.84 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.333 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 45.6 t80 -53.47 -55.91 21.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.505 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -69.34 -27.68 65.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.577 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.5 m -65.16 -45.9 83.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.71 0.29 . . . . 0.0 110.712 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.45 -27.56 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.497 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 82.0 mt -66.25 -39.53 89.55 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -76.22 -15.27 60.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.383 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -97.25 -31.68 12.3 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -113.84 -46.82 3.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -172.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.404 ' O ' ' HB ' ' A' ' 112' ' ' ILE . 2.0 m-20 -84.62 47.43 1.37 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.558 -173.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.4 t -57.27 -24.96 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.064 -173.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.619 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 12.4 t -96.95 -84.29 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.735 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 7.1 p-80 -172.43 150.77 2.35 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.23 -0.294 . . . . 0.0 111.116 -177.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.624 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 38.1 p90 -123.72 138.44 54.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.016 0.436 . . . . 0.0 110.507 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -106.75 116.28 50.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.222 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.816 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -102.81 115.03 29.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.052 -177.832 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -95.19 105.2 17.11 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' A' ' 108' ' ' TRP . 7.1 mp -66.07 -26.25 67.4 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.99 -13.94 58.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.064 0.459 . . . . 0.0 111.847 -175.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.427 ' HB ' HD21 ' A' ' 48' ' ' ASN . 24.9 m -123.85 -19.19 5.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.353 0.596 . . . . 0.0 110.766 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.587 ' HG3' ' HH ' ' A' ' 42' ' ' TYR . 26.6 tt0 63.79 28.99 14.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.878 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.427 HD21 ' HB ' ' A' ' 46' ' ' THR . 9.5 p30 -94.65 131.03 40.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 171.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.6 t -112.36 114.4 46.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.157 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -92.66 95.85 9.83 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.701 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.444 HD11 ' HG ' ' A' ' 61' ' ' LEU . 3.5 mp -86.72 104.86 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.006 0.431 . . . . 0.0 110.054 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.468 ' O ' ' HB3' ' A' ' 38' ' ' SER . 61.2 t -83.38 116.52 27.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 174.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 56' ' ' ASP . 84.0 mt -70.23 178.83 2.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.888 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -42.09 -55.91 3.04 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.036 0.835 . . . . 0.0 111.992 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -156.48 21.95 0.35 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.107 0.956 . . . . 0.0 108.51 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.546 ' HB2' ' HB2' ' A' ' 53' ' ' LEU . 5.8 m-20 -92.03 -88.0 0.21 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.513 -171.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -154.9 -168.97 3.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.768 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.9 m -110.93 114.49 27.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.05 0.452 . . . . 0.0 111.455 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.27 107.2 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.35 114.65 27.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.127 0.489 . . . . 0.0 111.59 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.518 HD13 ' HB3' ' A' ' 12' ' ' PHE . 44.9 mt -87.88 116.68 26.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.396 174.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.064 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.373 0.606 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.7 t -95.73 82.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.296 0.569 . . . . 0.0 110.698 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.2 m -108.63 5.09 24.63 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 40.0 t -91.61 120.29 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.25 -178.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -76.97 155.12 32.9 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.504 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -88.97 11.11 19.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.599 0.714 . . . . 0.0 110.243 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.1 m -91.03 -173.78 3.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.559 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.521 ' HB2' HD23 ' A' ' 127' ' ' LEU . 24.8 pttm -150.21 128.18 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.05 0.452 . . . . 0.0 111.05 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -138.32 142.57 39.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.249 172.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -100.42 -14.13 18.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.15 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -75.8 -49.99 16.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.168 -176.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.75 -39.28 88.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.83 -48.28 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.031 0.444 . . . . 0.0 110.439 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.67 -50.59 73.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.467 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -62.01 -46.05 90.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.511 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.451 HG21 ' HD1' ' A' ' 96' ' ' TYR . 40.4 m -63.25 -39.71 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.417 -177.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -67.73 -43.1 80.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.921 0.391 . . . . 0.0 111.142 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -64.76 -48.36 74.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.151 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -63.26 -32.19 73.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.211 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 46.9 tp -56.73 -51.35 69.18 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.202 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -81.82 -19.52 40.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.115 -176.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.2 m -72.67 -57.89 3.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -91.75 -19.12 22.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.415 . . . . 0.0 110.525 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.586 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 22.9 mt-10 57.55 62.05 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.333 -174.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.4 pt -78.58 169.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.31 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -65.03 156.2 32.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.37 0.605 . . . . 0.0 111.849 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.552 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 26.5 t80 -63.57 -23.97 67.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.142 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.24 -43.27 78.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.831 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.8 -42.33 99.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 110.253 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.501 ' HB2' HD11 ' A' ' 86' ' ' LEU . 41.6 t80 -60.29 -45.87 91.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.101 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -62.13 -48.87 78.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.693 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -61.7 -40.34 94.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.587 -172.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.7 -35.38 75.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.646 0.26 . . . . 0.0 110.836 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.443 HD21 HG22 ' A' ' 105' ' ' VAL . 71.8 mt -63.27 -41.74 99.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.032 0.444 . . . . 0.0 110.417 175.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.523 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -60.11 -39.74 87.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.839 178.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -69.77 -25.77 63.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.095 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.21 -19.2 43.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.73 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.29 16.7 11.75 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.939 177.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.443 HG22 HD21 ' A' ' 100' ' ' LEU . 66.6 t -76.32 100.51 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.106 0.479 . . . . 0.0 109.944 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -94.21 -31.31 14.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.75 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.454 ' HG2' HG22 ' A' ' 109' ' ' VAL . 33.0 ttp-105 -128.49 108.5 10.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.471 0.653 . . . . 0.0 110.998 -177.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.816 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.5 t90 -97.44 103.51 15.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.23 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.454 HG22 ' HG2' ' A' ' 107' ' ' ARG . 41.2 t -110.94 94.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.01 0.433 . . . . 0.0 111.189 -175.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.737 HG21 ' HG2' ' A' ' 117' ' ' ARG . 93.8 m -86.92 108.32 18.75 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.509 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 41.8 t-20 -99.34 93.86 6.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.718 -176.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' A' ' 36' ' ' ASN . 50.9 mm -64.95 -34.77 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.21 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.619 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 52.3 t-80 -62.3 -26.27 68.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.968 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -109.97 -4.01 16.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.773 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 63.21 37.2 11.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.458 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -136.96 158.52 44.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.771 0.319 . . . . 0.0 110.856 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.737 ' HG2' HG21 ' A' ' 110' ' ' THR . 56.3 mtp180 -123.08 102.35 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 172.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.443 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 76.3 m-85 -86.36 137.83 32.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.495 -174.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.408 ' HD2' ' HB3' ' A' ' 128' ' ' PHE . 96.5 m-85 -119.67 109.93 16.23 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.518 176.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.539 ' HB3' ' HA ' ' A' ' 124' ' ' ASN . 97.1 m-85 -111.91 144.54 41.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.492 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.0 t -89.17 -176.98 5.3 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -56.68 -32.62 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.882 0.373 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -97.52 20.08 12.34 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.494 0.664 . . . . 0.0 110.011 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.539 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 25.5 m-20 73.28 -77.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.537 1.135 . . . . 0.0 109.507 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t 60.95 -42.33 0.11 Allowed 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 125.401 1.481 . . . . 0.0 114.031 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 124' ' ' ASN . 51.1 tp 63.86 81.67 0.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.422 0.63 . . . . 0.0 109.381 -170.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 74' ' ' LYS . 95.9 mt -86.43 -33.95 20.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.002 -175.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.408 ' HB3' ' HD2' ' A' ' 119' ' ' TYR . 0.4 OUTLIER -152.87 154.53 35.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.852 -177.413 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 4.5 t -162.87 99.11 0.98 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.643 0.735 . . . . 0.0 110.061 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -89.94 127.34 36.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.968 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.9 t -91.04 119.51 31.26 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.2 pt -79.54 98.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.591 0.71 . . . . 0.0 110.577 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.774 -176.424 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.57 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 8.7 t0 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.325 0.583 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.88 -29.43 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.989 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.57 ' HB ' ' OD2' ' A' ' 7' ' ' ASP . 66.0 t -63.35 -34.72 68.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.101 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 98.3 t -58.03 -50.52 77.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.64 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.526 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -58.44 -52.64 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 -177.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.456 ' HA ' HD13 ' A' ' 15' ' ' ILE . 55.2 m-85 -61.57 -41.21 97.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.758 0.313 . . . . 0.0 111.248 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HA ' HD11 ' A' ' 61' ' ' LEU . 37.4 ttpt -63.89 -40.92 97.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.568 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 10' ' ' VAL . 98.0 mt-30 -60.28 -37.57 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.661 0.267 . . . . 0.0 110.826 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 11' ' ' ILE . 82.8 mt -59.04 -58.48 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.681 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.486 ' HA ' HG13 ' A' ' 19' ' ' VAL . 94.6 m-85 -70.23 -32.64 70.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.623 -175.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.49 -45.4 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.058 0.456 . . . . 0.0 110.365 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -72.94 -39.86 65.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.448 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.486 HG13 ' HA ' ' A' ' 16' ' ' PHE . 10.8 p -66.55 -27.34 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 122.061 -0.399 . . . . 0.0 110.85 -178.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HG3' ' HD2' ' A' ' 93' ' ' PHE . 54.5 ttp180 -75.98 -10.79 59.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.1 0.476 . . . . 0.0 110.495 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -113.23 -53.0 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.466 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 19.8 t70 -75.98 -23.39 55.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.872 -176.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt 62.3 34.6 15.75 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.774 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.466 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 51.4 t-20 -88.3 98.34 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.757 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -89.76 -24.63 21.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -58.15 -50.57 73.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.377 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -74.83 -37.48 62.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.335 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.5 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.9 t80 -50.45 -61.53 2.13 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.144 -175.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -67.94 -29.94 69.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.622 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.497 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 22.3 m -73.09 -37.36 66.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.852 0.358 . . . . 0.0 110.559 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' CD ' HH21 ' A' ' 34' ' ' ARG . 8.3 tp10 -67.92 -41.59 82.4 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.408 0.623 . . . . 0.0 109.758 176.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 93.9 mt -58.05 -42.02 84.54 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.282 175.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -61.92 -28.58 69.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.926 0.393 . . . . 0.0 111.342 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 30' ' ' SER . 52.5 mtm180 -80.19 -22.4 41.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.484 -177.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -121.41 -55.07 1.96 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.005 0.431 . . . . 0.0 111.7 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.04 79.84 5.41 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.325 -176.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' A' ' 113' ' ' HIS . 42.3 t -65.59 -29.59 47.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.86 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 t -106.9 -87.2 0.48 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.409 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -162.07 155.09 20.34 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.426 -0.509 . . . . 0.0 112.127 -171.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.735 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 41.3 p90 -125.75 144.04 50.79 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 172.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.95 109.36 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.988 0.423 . . . . 0.0 110.149 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.783 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 13.1 t80 -94.88 111.53 23.32 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 176.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -85.83 116.02 23.83 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.569 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.403 ' C ' ' H ' ' A' ' 46' ' ' THR . 6.4 mp -69.46 161.43 29.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 74.36 -22.54 0.25 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.708 0.63 . . . . 0.0 112.08 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.403 ' H ' ' C ' ' A' ' 44' ' ' LEU . 27.1 p -116.73 -23.53 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 66.87 24.09 9.82 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.924 0.393 . . . . 0.0 110.748 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.419 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -94.97 113.08 24.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.893 0.378 . . . . 0.0 110.165 179.334 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.92 121.38 54.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.53 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -108.53 102.26 11.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.854 0.359 . . . . 0.0 110.279 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.5 mp -92.18 109.54 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.714 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.02 109.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 57' ' ' ASN . 36.8 mt -54.61 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.526 0.516 . . . . 0.0 111.241 -174.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 55' ' ' ASN . 85.7 tttt -121.03 -32.81 3.86 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.517 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 63.3 t30 155.18 -19.38 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.115 -1.402 . . . . 0.0 107.455 -174.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -71.24 -50.09 36.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.268 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.523 ' HB3' HD13 ' A' ' 53' ' ' LEU . 52.5 t30 -123.73 150.96 43.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.964 0.411 . . . . 0.0 111.202 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 51.3 m -139.11 114.08 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.368 177.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.45 HG12 HG21 ' A' ' 9' ' ' VAL . 19.4 t -105.1 126.05 60.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.576 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.8 pt? -110.96 121.96 46.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.05 0.452 . . . . 0.0 111.066 -178.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 13' ' ' LYS . 10.4 mt -102.37 105.73 16.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.019 177.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.9 tttp . . . . . 0 C--N 1.322 -0.596 0 CA-C-O 120.879 0.371 . . . . 0.0 110.209 -177.681 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 C--O 1.235 0.307 0 CA-C-O 122.169 0.985 . . . . 0.0 108.348 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.9 p -54.11 112.52 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.339 -173.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -134.32 13.04 3.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.057 174.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.3 t -89.83 135.56 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.542 -174.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -115.43 153.88 30.27 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.521 ' HD1' ' HE1' ' A' ' 122' ' ' PHE . 55.8 t80 -69.8 88.82 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.379 0.609 . . . . 0.0 110.28 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 m -125.29 156.91 37.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.489 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' A' ' 74' ' ' LYS . 48.0 mtmt -132.99 87.82 2.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -136.08 113.85 11.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.012 0.434 . . . . 0.0 110.492 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.411 ' HG3' ' HD1' ' A' ' 128' ' ' PHE . 20.3 ttt180 -81.37 -27.21 34.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.946 -178.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -68.02 -44.61 76.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.113 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 103' ' ' ALA . 44.2 tp -59.83 -41.25 90.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.488 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.3 mt -60.0 -48.89 86.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -53.63 -48.27 69.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.413 0.625 . . . . 0.0 110.536 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 85' ' ' LYS . 20.8 m -65.02 -30.75 71.75 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.992 -177.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.2 m -72.8 -45.36 58.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.544 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -58.97 -42.9 91.05 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.016 0.436 . . . . 0.0 110.265 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.23 -42.84 93.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.406 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 81' ' ' THR . 35.3 ttmt -59.47 -37.92 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.129 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 96' ' ' TYR . 55.7 tp -67.31 -51.1 56.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.096 0.474 . . . . 0.0 110.719 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.75 -33.89 76.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.521 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -93.86 -58.7 2.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -84.48 -17.89 37.62 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -170.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 63.12 63.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.47 0.652 . . . . 0.0 110.486 -175.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.43 HG12 ' HA ' ' A' ' 86' ' ' LEU . 35.2 pt -79.69 145.76 8.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.15 171.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -63.97 148.95 48.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.577 0.227 . . . . 0.0 110.845 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.49 ' HD2' ' HG3' ' A' ' 20' ' ' ARG . 47.9 t80 -55.82 -32.81 63.88 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.97 0.414 . . . . 0.0 111.337 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.425 ' HA ' HH21 ' A' ' 97' ' ' ARG . 63.8 tt0 -59.56 -50.56 73.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.608 174.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.25 -34.54 78.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.663 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.464 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 52.0 t80 -59.03 -48.84 80.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.433 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.425 HH21 ' HA ' ' A' ' 94' ' ' GLN . 66.2 mtm180 -69.75 -29.46 66.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.385 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -41.06 95.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.391 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -38.04 75.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.381 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.32 -37.65 87.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.3 78.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.637 176.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -70.06 -29.57 66.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.415 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.485 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -81.46 -11.34 59.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.505 -178.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 97.14 20.72 22.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.888 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.9 t -86.1 121.02 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.018 0.437 . . . . 0.0 111.169 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -110.43 -26.28 9.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.875 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.849 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 9.4 mpt_? -109.75 110.98 22.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.321 -178.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.783 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 7.4 t-105 -96.31 90.39 5.43 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 169.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 118' ' ' TYR . 46.9 t -106.47 99.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.063 0.458 . . . . 0.0 110.375 -176.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.735 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 52.1 m -95.54 110.7 22.74 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -102.66 111.86 24.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.513 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 47.3 mm -76.73 -33.7 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.386 -175.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.509 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 59.3 t-80 -62.14 -44.94 95.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.194 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -85.89 -11.78 52.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.915 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 58.4 44.88 17.57 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.487 0.492 . . . . 0.0 110.3 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -140.32 139.65 35.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.218 -175.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.552 ' HG2' HG21 ' A' ' 110' ' ' THR . 68.4 mtm180 -105.34 110.16 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.617 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.552 ' HB2' ' HB ' ' A' ' 109' ' ' VAL . 70.1 m-85 -92.45 129.07 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.671 -176.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -110.59 105.33 14.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.214 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.849 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 74.0 m-85 -106.27 150.52 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.365 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.2 t -88.05 -178.73 6.05 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.521 ' HE1' ' HD1' ' A' ' 72' ' ' PHE . 34.5 p90 -67.57 -19.64 65.29 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.24 0.543 . . . . 0.0 110.684 -176.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.525 ' O ' ' HB2' ' A' ' 124' ' ' ASN . 12.1 t70 -71.87 -18.08 62.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.975 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 123' ' ' ASP . 89.1 m-20 76.95 15.46 1.91 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.782 -174.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 49.5 m -71.33 131.66 43.75 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.319 171.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 53.9 tp -77.22 105.76 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 110.151 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.1 mt -81.58 -44.55 17.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.373 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 130' ' ' GLU . 33.8 t80 -151.38 143.77 24.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.9 t -138.2 111.26 7.83 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 128' ' ' PHE . 7.3 pt-20 -106.89 129.02 54.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 -177.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 m -80.67 113.77 19.1 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.8 pt -63.82 114.96 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.556 0.693 . . . . 0.0 111.0 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 133' ' ' GLN . 8.8 mm-40 . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.126 -176.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.151 0.501 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.435 ' HA ' HD12 ' A' ' 11' ' ' ILE . 5.2 tp-100 -65.0 -26.44 68.29 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.371 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.426 HG11 HD22 ' A' ' 61' ' ' LEU . 79.1 t -59.18 -36.64 64.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.873 0.368 . . . . 0.0 110.481 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.91 -36.74 77.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.602 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.0 mp -67.87 -55.46 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.785 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' HB3' HD11 ' A' ' 61' ' ' LEU . 43.5 m-85 -67.85 -40.46 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 61' ' ' LEU . 54.5 tttm -64.23 -38.3 90.55 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.129 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 8.5 tt0 -62.82 -31.58 72.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.465 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 11' ' ' ILE . 66.9 mt -65.95 -55.94 17.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.754 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.604 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 69.5 m-85 -64.24 -45.38 88.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.151 -178.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.639 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -63.1 -26.46 68.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 111.296 179.572 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 21.3 ttmm -71.45 -49.46 41.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.883 0.373 . . . . 0.0 110.594 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 HG11 ' O ' ' A' ' 16' ' ' PHE . 9.6 p -67.13 -20.89 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.37 -174.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.639 ' HE ' ' HA ' ' A' ' 17' ' ' ASP . 81.0 mtt-85 -58.12 -34.23 70.0 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.935 0.398 . . . . 0.0 110.887 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -116.32 -38.77 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.588 -173.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.484 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 25.5 t70 -82.55 -28.82 30.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.278 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.7 mt 61.16 32.2 19.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.794 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.484 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 54.2 t-20 -80.61 90.42 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 174.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -78.08 -27.01 48.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.635 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.35 -55.1 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.373 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -70.01 -32.1 70.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.064 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.44 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 75.3 t80 -59.01 -54.08 51.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.617 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -67.02 -35.28 79.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.057 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 22.6 t -61.02 -44.95 96.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.751 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -73.01 -33.66 65.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 77.6 mt -62.22 -44.51 96.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 175.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -72.0 -20.3 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.201 -176.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 30' ' ' SER . 46.7 mtm180 -100.37 -8.53 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -131.4 -52.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.489 ' ND2' ' HD2' ' A' ' 40' ' ' TYR . 39.2 t30 -85.78 87.08 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.354 0.597 . . . . 0.0 109.992 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -74.76 -32.33 28.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.565 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.6 p -101.25 -83.26 0.45 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.128 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -164.77 152.16 11.4 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 122.048 -0.407 . . . . 0.0 111.622 -170.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.706 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 42.7 p90 -128.72 147.27 50.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.111 175.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.78 113.1 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.09 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.768 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.3 OUTLIER -99.82 109.59 21.99 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.01 -178.518 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -86.52 104.11 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.678 HD12 ' HB2' ' A' ' 108' ' ' TRP . 5.8 mp -63.87 -38.35 90.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.08 -173.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.762 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -68.06 -44.11 77.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 p -97.32 -5.52 36.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -175.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' CD ' HH12 ' A' ' 20' ' ' ARG . 13.8 tp10 61.92 43.06 9.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.04 0.924 . . . . 0.0 109.378 -176.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -110.07 111.76 23.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.518 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -105.69 115.61 47.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.254 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -103.48 99.26 9.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.603 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.14 108.64 20.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.81 0.338 . . . . 0.0 111.048 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.71 109.24 20.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.86 -75.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.244 0.545 . . . . 0.0 111.584 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -146.66 -70.89 0.24 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -145.11 10.02 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.801 174.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.85 -73.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.5 -175.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -157.69 178.02 10.73 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.973 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.0 m -113.99 111.97 22.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.226 175.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.16 109.91 17.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.68 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.5 pt? -98.26 111.51 23.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.334 0.587 . . . . 0.0 111.072 -178.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 13' ' ' LYS . 19.4 mt -98.88 106.12 18.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.51 178.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 pttp . . . . . 0 C--N 1.319 -0.742 0 CA-C-O 121.34 0.591 . . . . 0.0 110.663 179.794 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 3.3 mp . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.723 0.297 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.762 HG12 ' HA ' ' A' ' 45' ' ' ALA . 8.3 p -85.41 152.56 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.017 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -93.01 108.49 20.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.052 0.453 . . . . 0.0 111.08 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.521 HG13 ' HB2' ' A' ' 106' ' ' PHE . 62.0 t -87.59 114.58 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 174.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -95.69 157.72 15.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.487 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -83.19 65.17 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.417 0.627 . . . . 0.0 109.893 174.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.1 m -144.08 91.92 2.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.013 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 103' ' ' ALA . 56.2 pttt -91.9 125.57 36.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.215 -170.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -146.7 130.85 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.71 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -79.24 -28.65 42.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.224 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -68.34 -37.04 80.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.295 -173.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.519 HD23 ' HB1' ' A' ' 103' ' ' ALA . 43.2 tp -62.21 -48.84 78.23 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.72 -47.68 85.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.326 0.584 . . . . 0.0 110.172 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.34 -54.8 41.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.948 178.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.5 m -61.07 -39.48 90.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.5 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.454 HG21 ' HB2' ' A' ' 99' ' ' ASN . 26.1 m -67.72 -34.31 76.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.735 0.303 . . . . 0.0 110.923 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.6 m -67.32 -39.4 85.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.45 . . . . 0.0 110.079 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -67.72 -37.48 82.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.332 175.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -62.56 -44.09 97.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.959 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.546 ' HA ' HG12 ' A' ' 91' ' ' ILE . 47.0 tp -64.25 -44.58 91.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.774 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -68.08 -48.0 66.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.46 -177.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.3 m -79.41 -46.49 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -173.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -100.4 -7.37 24.43 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.679 -172.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 73.4 -46.2 0.63 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.455 0.702 . . . . 0.0 111.429 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.546 HG12 ' HA ' ' A' ' 86' ' ' LEU . 36.0 pt 39.39 -131.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.124 0.97 . . . . 0.0 112.483 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.1 m -145.39 151.12 37.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 47.0 t80 -56.9 -31.63 65.09 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.799 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 2.4 mp0 -59.47 -52.61 64.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.182 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -56.17 -44.02 78.92 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.321 0.388 . . . . 0.0 111.501 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.4 ' HD1' HG23 ' A' ' 82' ' ' THR . 37.5 t80 -56.71 -42.34 78.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.407 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HD3' ' CE2' ' A' ' 93' ' ' PHE . 49.4 mtm180 -77.0 -34.84 57.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.576 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 17.5 mmt85 -59.47 -43.16 93.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.213 0.53 . . . . 0.0 110.557 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.454 ' HB2' HG21 ' A' ' 82' ' ' THR . 6.9 m-20 -72.77 -35.39 67.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.205 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.38 -47.19 83.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.329 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.78 71.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.215 0.531 . . . . 0.0 110.427 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -71.61 -21.07 61.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.484 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.519 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -96.26 0.71 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 121' ' ' THR . . . 100.34 6.5 53.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.287 176.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.3 t -78.36 104.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.491 . . . . 0.0 110.506 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.521 ' HB2' HG13 ' A' ' 70' ' ' VAL . 87.5 t80 -104.18 -30.35 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.681 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 70.6 mtp85 -116.48 99.11 6.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.153 -178.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.768 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.4 t90 -91.78 94.34 9.3 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 175.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 41.6 t -103.58 100.38 10.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.823 0.344 . . . . 0.0 110.57 -178.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.706 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 36.8 m -90.76 118.34 30.1 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -101.82 104.13 14.87 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.114 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.5 mm -70.97 -32.5 48.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.354 -176.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.15 -33.82 75.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.048 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -94.95 -15.05 23.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.62 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.526 ' HG3' HG13 ' A' ' 132' ' ' ILE . 0.0 OUTLIER 68.69 31.81 4.43 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.518 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -136.2 147.72 47.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.165 0.507 . . . . 0.0 111.803 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -95.56 135.17 37.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -116.67 110.96 19.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.834 0.349 . . . . 0.0 110.314 176.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -93.94 106.15 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.681 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 97.7 m-85 -101.68 138.54 38.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.237 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.568 ' HB ' HD12 ' A' ' 127' ' ' LEU . 1.6 t -69.83 172.24 7.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.121 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.95 -34.85 73.81 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.54 10.03 8.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.021 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 65.4 t30 61.6 85.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.796 0.838 . . . . 0.0 111.76 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 120' ' ' TYR . 22.9 t -157.36 142.12 16.71 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.483 HD12 ' HB ' ' A' ' 129' ' ' THR . 48.2 tp -72.38 99.31 2.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.992 0.425 . . . . 0.0 111.085 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.568 HD12 ' HB ' ' A' ' 121' ' ' THR . 33.9 mt -78.43 -45.92 21.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.344 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -149.4 141.13 23.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.056 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.483 ' HB ' HD12 ' A' ' 126' ' ' LEU . 15.3 t -135.0 142.59 46.47 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -141.8 142.33 33.2 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 m -92.32 125.27 36.91 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.328 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.526 HG13 ' HG3' ' A' ' 115' ' ' GLN . 12.5 pt -75.01 98.89 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.134 0.492 . . . . 0.0 110.428 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.058 -175.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.834 0.35 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.02 -27.15 68.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.03 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.17 -40.28 76.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.309 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.73 -41.85 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.186 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.8 mp -64.58 -49.28 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.587 178.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.41 ' CZ ' HD22 ' A' ' 53' ' ' LEU . 7.0 m-85 -64.58 -41.61 96.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 7.7 ttpp -71.04 -18.57 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.109 -0.637 . . . . 0.0 109.8 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -76.57 -39.47 52.58 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.74 ' HA ' ' HZ2' ' A' ' 27' ' ' TRP . 88.6 mt -58.77 -55.67 21.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.672 176.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -64.72 -30.18 71.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.195 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.6 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 5.6 t70 -74.26 -39.99 62.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.819 0.342 . . . . 0.0 110.376 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HB2' ' HZ3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -56.41 -50.28 72.09 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.244 178.704 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.48 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 13.0 p -74.43 -25.48 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -63.09 -41.59 99.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.586 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -102.37 -26.78 13.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -94.87 -25.44 16.59 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.811 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 92' ' ' THR . 53.2 mt 66.51 27.67 9.66 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.419 0.628 . . . . 0.0 111.085 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.48 ' OD1' ' HA ' ' A' ' 19' ' ' VAL . 16.8 p-10 -86.29 64.56 8.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.336 177.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -58.63 -24.43 61.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.258 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -40.82 77.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.415 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.74 ' HZ2' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -71.72 -35.49 70.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.367 0.603 . . . . 0.0 110.082 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -75.85 -43.54 45.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.046 -163.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -67.86 -31.17 70.8 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.255 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 20.4 t -76.82 -38.94 52.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -56.94 -52.17 66.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.652 176.231 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.88 -47.35 80.69 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.163 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' HG23 ' A' ' 37' ' ' VAL . 78.7 tttt -60.85 -24.51 65.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 0.0 111.468 -174.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 30' ' ' SER . 75.9 mtp180 -75.08 -47.08 30.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.246 0.546 . . . . 0.0 110.848 177.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -100.77 -64.1 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.256 -173.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -87.22 80.19 8.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.327 0.584 . . . . 0.0 110.456 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.453 HG21 ' HD3' ' A' ' 54' ' ' LYS . 5.9 t -85.41 -1.57 7.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.999 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.503 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 14.5 t -103.11 -81.7 0.5 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -176.52 146.08 0.59 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.507 0.194 . . . . 0.0 110.848 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.614 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 27.1 p90 -118.83 134.19 55.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 172.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.489 HG21 HG22 ' A' ' 109' ' ' VAL . 55.6 mt -102.4 106.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.765 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.617 ' HB3' ' CD1' ' A' ' 108' ' ' TRP . 0.4 OUTLIER -95.82 118.86 33.27 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.817 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -92.94 104.89 17.08 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.573 ' HG ' ' NE1' ' A' ' 108' ' ' TRP . 9.7 mt -57.49 -47.32 82.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -173.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.562 ' HB2' ' HE1' ' A' ' 106' ' ' PHE . . . -72.18 -32.98 67.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -87.71 -15.51 36.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.839 0.352 . . . . 0.0 111.559 -176.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 61.62 19.76 10.71 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.612 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -109.88 133.07 53.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.479 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.3 t -113.91 121.85 66.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.324 -176.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -102.52 99.34 9.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.809 0.338 . . . . 0.0 110.092 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.525 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.7 mp -93.82 101.81 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.083 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' A' ' 38' ' ' SER . 22.6 t -88.95 107.05 17.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 60.9 mt -74.0 166.4 23.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.928 -177.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HD3' HG21 ' A' ' 37' ' ' VAL . 24.7 pttm -64.14 -22.44 66.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.047 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.461 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 66.4 t30 -93.22 22.94 4.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.262 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 9.7 t70 76.47 -36.75 0.27 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.66 174.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -55.21 126.81 26.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.035 0.445 . . . . 0.0 110.94 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 32.2 m -106.22 122.05 45.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.759 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.8 t -94.17 132.99 36.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.645 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 58.5 tp -112.75 109.27 18.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.761 0.315 . . . . 0.0 110.795 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.48 HD22 ' HB2' ' A' ' 13' ' ' LYS . 25.5 mt -98.75 158.18 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.508 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.512 ' HZ2' ' HB3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.876 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 67' ' ' ILE . 9.4 tp . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 122.201 1.001 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 p -85.71 28.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.764 0.792 . . . . 0.0 111.207 -174.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 m -81.61 -7.25 59.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.726 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.481 HG23 ' HB1' ' A' ' 101' ' ' ALA . 73.3 t -70.16 117.69 13.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.031 177.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.536 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 75.3 mmtt -91.87 158.55 16.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.506 -176.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -80.63 75.41 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.5 m -119.07 174.92 6.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.387 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -139.71 35.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.659 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.438 ' O ' HG13 ' A' ' 79' ' ' ILE . 2.6 m-20 -76.41 77.89 3.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.698 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -65.26 -32.87 74.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.627 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -66.07 -32.83 74.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.439 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.6 tp -72.02 -37.08 69.84 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 75' ' ' ASP . 67.6 mt -60.15 -48.24 88.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.997 174.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -55.2 -49.94 70.66 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.663 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.6 m -60.23 -40.92 91.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.06 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.418 HG22 ' HG ' ' A' ' 100' ' ' LEU . 52.4 m -65.2 -48.65 72.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.5 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.404 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 10.6 t -63.91 -41.82 97.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.077 0.465 . . . . 0.0 110.191 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -64.89 -39.14 93.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.443 ' HG2' HG22 ' A' ' 91' ' ' ILE . 35.0 ttpt -64.81 -36.74 85.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.687 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.543 ' HA ' HG12 ' A' ' 91' ' ' ILE . 56.9 tp -68.73 -48.18 64.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.987 0.422 . . . . 0.0 109.967 175.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -57.28 -32.69 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.461 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -92.78 -58.44 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.199 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -97.72 -2.4 41.33 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -168.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 56.77 51.3 11.1 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.668 0.27 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.543 HG12 ' HA ' ' A' ' 86' ' ' LEU . 36.4 pt -67.17 155.82 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 -177.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.511 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -61.93 157.39 18.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.124 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -60.53 -28.67 68.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.349 0.595 . . . . 0.0 109.49 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -59.37 -55.38 35.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.573 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.58 -43.77 89.56 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.2 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.404 ' HE1' ' HA ' ' A' ' 83' ' ' SER . 38.0 t80 -60.11 -56.76 17.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.789 -178.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 44' ' ' LEU . 33.2 ttt180 -64.55 -37.49 87.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.907 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -60.33 -49.33 78.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.813 0.34 . . . . 0.0 111.794 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -69.48 -32.1 70.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.993 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.418 ' HG ' HG22 ' A' ' 82' ' ' THR . 96.0 mt -67.51 -38.53 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.936 0.398 . . . . 0.0 110.594 177.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.481 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -61.94 -39.89 93.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.017 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -70.65 -25.16 62.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.786 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . . . -70.41 -13.81 62.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.48 -177.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 101.56 10.0 42.29 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.395 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.9 t -80.05 116.74 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.925 0.393 . . . . 0.0 110.098 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.562 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 86.0 t80 -100.89 -31.43 11.15 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.805 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 98.1 mtt180 -119.43 102.77 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.617 ' CD1' ' HB3' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -104.53 101.73 11.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.28 1.038 . . . . 0.0 108.573 168.249 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 41' ' ' ILE . 22.4 t -109.67 114.51 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.014 -1.448 . . . . 0.0 110.156 -172.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.614 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 17.6 m -96.54 104.09 16.04 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.09 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.43 ' OD1' HG12 ' A' ' 109' ' ' VAL . 3.9 m-20 -91.73 106.12 18.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.269 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.95 -35.26 68.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.503 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 51.4 t-80 -63.42 -33.72 76.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.079 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.01 -9.06 23.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.471 HE21 HG13 ' A' ' 132' ' ' ILE . 5.7 tp60 62.4 29.91 17.26 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.926 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -139.13 144.16 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.96 0.409 . . . . 0.0 111.384 -176.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 130' ' ' GLU . 24.8 ttm-85 -101.74 112.94 25.7 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.401 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 80.4 m-85 -91.83 123.15 34.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.483 ' CZ ' ' HD2' ' A' ' 117' ' ' ARG . 95.1 m-85 -102.38 104.62 15.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.938 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.805 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 94.6 m-85 -106.33 141.12 38.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.402 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.551 ' HB ' HD11 ' A' ' 127' ' ' LEU . 15.0 t -79.11 179.38 7.4 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.79 -37.75 82.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.934 0.397 . . . . 0.0 110.78 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -87.56 42.09 1.02 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 49.84 21.94 0.77 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.692 1.197 . . . . 0.0 113.56 172.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.48 ' HB2' HG22 ' A' ' 121' ' ' THR . 16.0 m -95.25 132.4 40.26 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 122.199 -0.313 . . . . 0.0 110.576 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 66.0 tp -72.96 113.97 10.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.34 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.551 HD11 ' HB ' ' A' ' 121' ' ' THR . 91.1 mt -91.03 -61.3 1.7 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.144 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -133.52 148.0 51.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.85 0.357 . . . . 0.0 110.715 -174.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 21.7 m -123.55 109.83 14.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.69 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 117' ' ' ARG . 33.8 tt0 -99.4 105.65 17.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.29 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.2 m -78.98 108.49 12.5 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.528 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.471 HG13 HE21 ' A' ' 115' ' ' GLN . 14.5 pt -80.01 81.59 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.522 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.954 -177.735 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.035 0.445 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.442 ' OE1' HG22 ' A' ' 59' ' ' VAL . 36.8 tt0 -51.99 -33.11 36.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.665 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.9 -39.57 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.477 ' HA ' ' HG2' ' A' ' 13' ' ' LYS . 92.5 t -65.52 -43.38 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.146 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.528 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.1 mp -57.88 -51.97 63.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.295 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.514 ' HB2' HD23 ' A' ' 61' ' ' LEU . 56.0 m-85 -68.79 -44.1 74.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.412 . . . . 0.0 112.029 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HA ' HD13 ' A' ' 61' ' ' LEU . 54.2 pttt -65.6 -30.74 71.51 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.594 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.29 -32.33 68.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.581 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 11' ' ' ILE . 72.4 mt -62.46 -48.32 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.037 0.446 . . . . 0.0 110.177 176.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -70.58 -30.21 66.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.832 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.467 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 29.6 t70 -67.65 -39.32 84.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.121 0.486 . . . . 0.0 110.811 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 18' ' ' LYS . 28.8 mmmt -67.57 -44.49 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.309 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.85 -27.86 31.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.845 -175.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.538 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 39.2 ptt180 -79.17 -17.84 54.19 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.171 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -109.28 -44.72 3.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.494 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.32 -20.28 19.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.303 -174.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt 62.38 33.14 16.54 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.483 0.49 . . . . 0.0 111.24 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -83.51 77.75 9.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.684 0.754 . . . . 0.0 110.348 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -66.89 -31.05 71.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.054 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -61.45 -49.5 76.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.528 0.204 . . . . 0.0 110.949 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -69.69 -31.01 68.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.223 0.535 . . . . 0.0 110.197 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.592 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.5 t80 -67.59 -51.56 48.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.402 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -60.19 -43.13 96.16 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.675 0.274 . . . . 0.0 111.702 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.55 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 6.3 p -65.68 -40.06 91.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.269 -176.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -70.9 -30.68 67.09 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.449 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 83.3 mt -63.24 -45.83 89.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 175.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.532 ' HA ' HG21 ' A' ' 112' ' ' ILE . 2.0 tmtp? -64.74 -30.36 71.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 -178.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 30' ' ' SER . 47.2 mtp180 -75.62 -31.71 59.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.975 -177.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -121.71 -48.31 2.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -170.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -81.92 36.31 0.45 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.446 0.298 . . . . 0.0 110.903 -175.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.597 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 17.7 t -51.33 -37.74 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.134 -172.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.521 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 39.4 m -77.35 -81.26 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.556 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -172.79 149.57 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.461 0.172 . . . . 0.0 110.575 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.622 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 52.5 p90 -118.13 137.19 53.12 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 63.6 mt -104.01 109.78 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.282 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.664 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.2 t80 -100.62 125.85 47.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.929 -177.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.407 ' HD2' ' HB2' ' A' ' 48' ' ' ASN . 25.6 m-85 -99.07 112.58 24.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.2 mt -71.03 -3.31 18.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.213 -174.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.87 -61.01 1.72 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.737 0.303 . . . . 0.0 111.481 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 p -94.53 -6.4 43.84 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -174.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.65 ' HG3' ' HH ' ' A' ' 42' ' ' TYR . 33.1 tt0 64.61 33.3 10.82 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.961 0.886 . . . . 0.0 109.438 -177.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.407 ' HB2' ' HD2' ' A' ' 43' ' ' TYR . 11.2 m120 -96.16 138.45 33.75 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 t -129.71 128.76 65.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.832 0.349 . . . . 0.0 110.952 -176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.495 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 40.6 m-70 -103.01 99.34 9.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.029 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.537 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.3 mp -90.69 97.27 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.902 0.382 . . . . 0.0 110.081 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.521 ' O ' ' HB2' ' A' ' 38' ' ' SER . 20.8 t -82.74 113.93 22.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.0 mt -71.13 170.38 13.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.146 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.597 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 8.7 ttpp -84.05 13.23 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 64.4 t30 -138.15 48.56 1.97 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.278 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.442 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 7.3 t70 78.23 -45.08 0.41 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 167.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.65 144.02 54.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.893 0.378 . . . . 0.0 111.453 -176.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.7 m -122.97 129.53 51.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.537 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 19.1 t -93.47 119.17 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.016 178.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 tp -100.83 109.2 21.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.091 0.472 . . . . 0.0 111.129 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 13' ' ' LYS . 74.5 mt -93.18 142.6 27.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.973 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.315 -178.92 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.629 HD12 ' HB2' ' A' ' 47' ' ' GLU . 3.0 mp . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.2 t 42.62 66.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.462 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.9 m -105.35 3.28 29.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.046 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 44.2 t -76.33 122.92 31.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.084 -175.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.462 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 65.8 mmtt -104.27 159.56 15.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.012 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -79.63 78.62 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.6 m -141.55 177.58 8.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.623 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -149.82 32.25 0.7 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.618 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.66 131.08 34.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.554 -172.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -90.83 -16.22 28.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.906 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -67.71 -49.6 61.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.073 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.4 tp -63.22 -32.23 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.616 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.61 -52.84 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.211 0.529 . . . . 0.0 109.813 174.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.8 -37.57 84.86 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.018 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 m -65.26 -45.11 85.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.695 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -69.08 -31.91 70.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.136 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -62.77 -47.64 82.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.076 0.465 . . . . 0.0 109.894 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -68.1 -30.3 69.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.825 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -61.0 -48.47 81.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.117 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.494 HD11 ' O ' ' A' ' 90' ' ' GLU . 26.0 tp -62.92 -38.68 91.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.423 177.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -67.42 -47.46 70.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.009 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.5 t -82.5 -51.42 7.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.922 -174.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.405 ' HD2' ' HA ' ' A' ' 89' ' ' ARG . 9.0 mmm180 -96.6 -12.38 24.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -172.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.494 ' O ' HD11 ' A' ' 86' ' ' LEU . 36.6 tt0 72.48 -51.23 0.7 Allowed 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.756 0.66 . . . . 0.0 111.461 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.4 pt 46.79 -164.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.649 1.18 . . . . 0.0 112.767 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.0 m -105.42 147.27 28.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.891 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.538 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 66.2 t80 -56.94 -34.14 67.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.209 0.528 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.519 ' HG3' HH21 ' A' ' 97' ' ' ARG . 59.3 tt0 -60.01 -44.24 94.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.791 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -71.34 -35.6 71.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.49 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -56.67 -50.03 73.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.311 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.519 HH21 ' HG3' ' A' ' 94' ' ' GLN . 72.1 mtm180 -60.06 -42.07 93.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 60.8 mtp180 -53.87 -57.98 8.93 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.037 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -72.91 -23.57 60.72 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -172.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.72 -40.81 76.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.085 0.469 . . . . 0.0 109.908 173.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -68.31 -33.42 74.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 177.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 74.6 mmtt -62.85 -22.72 66.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.066 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.34 -11.65 59.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 109.33 3.11 31.2 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.777 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.23 121.45 33.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.027 0.441 . . . . 0.0 110.385 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.574 ' HB3' ' HA ' ' A' ' 122' ' ' PHE . 69.0 t80 -118.21 -27.31 6.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.901 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 1.051 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 2.3 tpp180 -109.18 95.44 5.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.263 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.664 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.1 t90 -88.9 102.94 15.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.46 HG23 ' HG3' ' A' ' 107' ' ' ARG . 66.5 t -117.2 111.98 37.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.771 0.32 . . . . 0.0 110.587 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.622 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 29.1 m -108.6 113.18 25.96 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.071 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -89.24 105.7 17.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.532 HG21 ' HA ' ' A' ' 33' ' ' LYS . 49.8 mm -73.87 -28.3 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.503 -175.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 16.4 t-80 -66.8 -34.26 77.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.225 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -96.39 -7.44 35.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.754 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 55.12 43.64 29.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.479 0.657 . . . . 0.0 109.332 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.452 ' HE2' HG21 ' A' ' 129' ' ' THR . 75.1 tttt -131.43 121.58 24.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.651 -168.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -101.11 120.43 40.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.933 0.397 . . . . 0.0 110.571 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.415 ' OH ' ' HD3' ' A' ' 116' ' ' LYS . 84.4 m-85 -102.7 142.41 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.81 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.46 ' CD1' ' HB3' ' A' ' 128' ' ' PHE . 96.2 m-85 -117.87 112.86 20.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.237 175.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 1.051 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 95.9 m-85 -113.42 142.8 45.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.285 0.365 . . . . 0.0 110.68 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.455 ' HB ' HD12 ' A' ' 127' ' ' LEU . 15.3 t -72.07 -179.02 2.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.502 175.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.574 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 35.1 p90 -60.32 -29.72 69.05 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -87.81 2.98 49.96 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.316 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.437 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 5.1 t30 66.14 71.7 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.526 -177.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 120' ' ' TYR . 15.1 m -131.78 139.42 48.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.782 175.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.416 HD12 ' OG1' ' A' ' 129' ' ' THR . 29.6 tp -71.14 115.23 10.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.117 0.485 . . . . 0.0 111.291 -173.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.455 HD12 ' HB ' ' A' ' 121' ' ' THR . 94.0 mt -101.49 -46.77 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.708 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.46 ' HB3' ' CD1' ' A' ' 119' ' ' TYR . 20.9 t80 -141.95 149.03 39.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.452 HG21 ' HE2' ' A' ' 116' ' ' LYS . 9.4 m -145.11 117.85 8.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.696 0.284 . . . . 0.0 110.273 177.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -132.01 134.59 45.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 70.3 m -80.13 127.58 32.49 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.5 pt -82.47 95.87 3.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.342 0.592 . . . . 0.0 111.543 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.279 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.134 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.555 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 21.8 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.944 0.402 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -65.47 -26.91 68.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.584 -176.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.555 ' HB ' ' OD2' ' A' ' 7' ' ' ASP . 72.2 t -61.15 -37.58 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.468 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 7' ' ' ASP . 58.3 t -62.39 -46.14 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.631 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.467 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.2 mp -58.2 -51.51 70.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.711 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -60.83 -47.32 86.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.251 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.509 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 22.0 ttpp -60.21 -44.57 95.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.759 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -59.66 -36.65 76.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.637 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 11' ' ' ILE . 72.7 mt -60.2 -46.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 109.954 176.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.593 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 75.5 m-85 -69.62 -40.18 76.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.219 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.509 ' OD2' ' HG2' ' A' ' 13' ' ' LYS . 6.0 m-20 -54.81 -41.87 71.17 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.95 0.405 . . . . 0.0 110.966 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -76.24 -51.16 12.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.863 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -61.5 -27.24 41.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 16' ' ' PHE . 19.3 mtm180 -58.16 -31.67 67.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.67 0.271 . . . . 0.0 111.614 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -117.9 -26.25 6.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.011 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.32 -40.75 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 92' ' ' THR . 64.3 mt 71.48 13.79 6.42 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -77.54 124.36 27.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.079 174.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -101.54 -21.08 14.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.18 -52.78 44.83 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.75 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -68.45 -36.46 79.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.582 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 56.4 t80 -58.55 -58.98 6.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.87 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -68.36 -30.78 69.8 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 34' ' ' ARG . 24.0 t -62.78 -51.24 67.87 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -69.39 -26.88 64.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.82 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 29.9 mt -59.34 -58.81 6.97 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.482 174.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -69.63 -20.24 63.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.447 . . . . 0.0 110.649 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' A' ' 30' ' ' SER . 29.7 ttp85 -89.9 -5.8 56.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.85 0.357 . . . . 0.0 111.382 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -130.63 -58.32 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.523 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.406 ' ND2' ' HD2' ' A' ' 40' ' ' TYR . 33.1 t30 -83.56 90.28 7.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.31 0.576 . . . . 0.0 109.896 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.745 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 13.5 t -86.3 -5.82 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.607 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.82 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 52.5 m -117.01 -91.74 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.722 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 9.8 p-80 -161.25 144.41 12.69 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.749 0.309 . . . . 0.0 111.812 -175.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.486 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 50.0 p90 -117.64 136.3 53.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 173.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.498 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 48.8 mt -101.81 103.34 14.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.827 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.915 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -93.01 117.47 30.1 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.89 -176.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -97.69 106.44 18.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.715 0.293 . . . . 0.0 110.953 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -69.09 -8.83 48.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 0.0 110.842 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' HA ' HG22 ' A' ' 70' ' ' VAL . . . -76.67 -28.88 56.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.353 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.611 HG21 HG12 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -131.3 -1.18 4.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.596 -175.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.536 ' HB3' ' O ' ' A' ' 63' ' ' GLY . 2.9 tp10 61.11 23.16 13.38 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.784 0.802 . . . . 0.0 109.564 -173.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -99.62 138.62 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.189 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.7 t -124.41 128.61 73.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.165 -174.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.498 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 12.2 m-70 -99.53 89.82 4.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.005 175.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 5.0 mp -85.19 98.7 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.857 0.361 . . . . 0.0 110.108 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.455 ' O ' ' HB2' ' A' ' 38' ' ' SER . 39.2 t -88.05 106.11 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.1 mt -70.37 -173.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.611 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.745 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 11.0 ttpp -47.27 -63.67 0.98 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.489 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -160.15 21.46 0.16 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.2 -73.91 0.44 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.489 -170.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -163.25 176.78 9.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.4 m -104.18 124.25 48.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.874 0.369 . . . . 0.0 110.172 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.552 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 21.9 t -95.41 127.19 47.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 60.7 tp -113.21 113.89 25.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.664 0.269 . . . . 0.0 110.47 -177.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.5 HD21 HG12 ' A' ' 9' ' ' VAL . 27.3 mt -96.78 146.67 24.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.156 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -131.59 115.36 15.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.016 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.536 ' O ' ' HB3' ' A' ' 47' ' ' GLU . . . -138.19 178.49 19.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.652 177.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 37.21 61.35 0.94 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.528 0.731 . . . . 0.0 112.249 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -68.8 92.31 0.48 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.51 0.671 . . . . 0.0 111.027 -176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -146.15 -44.94 0.2 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.101 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.611 HG12 HG21 ' A' ' 46' ' ' THR . 40.0 mt 71.86 147.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.683 175.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.587 HG23 HG21 ' A' ' 67' ' ' ILE . 37.7 t 66.71 69.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.467 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -115.79 10.42 15.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.751 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.505 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 6.3 t -115.34 147.34 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.882 -174.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 37.0 mtpt -118.47 139.87 50.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -77.94 76.18 4.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.354 0.597 . . . . 0.0 109.941 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.3 m -139.11 78.5 1.68 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.653 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.577 ' HE2' HD22 ' A' ' 127' ' ' LEU . 13.3 ptmm? -75.51 105.55 6.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.253 -171.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -132.44 134.91 45.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.907 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -84.03 -28.9 27.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.167 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.45 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 65.8 t-80 -74.3 -37.68 63.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.7 tp -59.06 -32.08 69.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.945 0.402 . . . . 0.0 110.305 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.44 -52.62 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.524 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -67.59 -31.37 71.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.705 -176.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.3 m -67.63 -36.03 80.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.126 0.488 . . . . 0.0 110.365 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.562 HG21 ' CD1' ' A' ' 96' ' ' TYR . 37.6 m -73.88 -38.42 64.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.408 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 11.6 p -69.92 -32.81 71.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.347 . . . . 0.0 110.42 177.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.67 -37.31 87.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.783 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.686 ' HE2' HG23 ' A' ' 91' ' ' ILE . 77.7 tttt -67.05 -40.24 87.08 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.262 0.554 . . . . 0.0 109.868 177.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 90' ' ' GLU . 32.4 tp -66.04 -37.79 86.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.427 177.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -57.75 -44.9 86.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.264 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.3 m -78.25 -70.26 0.5 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.519 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 4.1 mmp_? -100.34 -14.69 18.28 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -172.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 86' ' ' LEU . 46.9 mt-10 70.26 -12.52 0.5 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.255 0.622 . . . . 0.0 111.981 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.686 HG23 ' HE2' ' A' ' 85' ' ' LYS . 6.5 pt 35.35 -103.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.538 1.135 . . . . 0.0 113.518 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.5 HG21 ' HG2' ' A' ' 94' ' ' GLN . 8.1 m -154.7 138.71 16.4 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.569 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 72.8 t80 -61.95 -30.93 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 111.372 -173.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 4.8 pt20 -67.66 -41.36 83.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.919 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.73 -38.16 76.75 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.973 0.416 . . . . 0.0 110.036 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.562 ' CD1' HG21 ' A' ' 82' ' ' THR . 69.0 t80 -52.47 -44.68 65.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.405 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 97' ' ' ARG . 46.6 mtm180 -79.7 -21.34 44.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.809 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 18.4 mmm180 -67.12 -43.83 81.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.11 -34.94 75.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.56 -38.89 90.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.362 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 70' ' ' VAL . . . -65.56 -30.05 70.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.188 0.518 . . . . 0.0 110.372 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -76.78 -15.24 59.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.114 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.548 ' O ' ' HA ' ' A' ' 74' ' ' LYS . . . -94.1 4.92 53.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.213 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 81.21 20.75 64.08 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.133 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.1 t -82.96 99.95 6.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.17 0.51 . . . . 0.0 110.264 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -93.85 -30.53 14.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.593 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.689 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 68.5 mtt180 -116.41 100.42 7.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.23 0.538 . . . . 0.0 111.703 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.915 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.4 t90 -86.93 92.49 9.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 172.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.409 HG21 HG23 ' A' ' 41' ' ' ILE . 56.7 t -105.1 97.39 5.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.055 0.455 . . . . 0.0 110.751 -175.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.486 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 82.5 m -92.98 104.76 16.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.045 0.45 . . . . 0.0 110.127 178.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.514 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 59.8 t30 -98.99 84.97 3.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.798 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 43.7 mm -59.24 -34.25 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.549 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.82 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 11.4 t-160 -59.31 -26.31 64.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.246 -177.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 115' ' ' GLN . 18.8 tt0 -114.62 -4.04 12.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.837 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.484 ' HA ' HD11 ' A' ' 132' ' ' ILE . 28.9 mm-40 74.48 21.87 2.22 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.372 0.669 . . . . 0.0 112.359 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -117.91 142.6 47.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.051 0.453 . . . . 0.0 111.615 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.481 ' HB2' HG23 ' A' ' 132' ' ' ILE . 25.2 ttp180 -111.03 107.6 17.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 169.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -95.75 136.58 35.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.217 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -112.33 110.3 20.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.489 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.689 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 93.1 m-85 -111.16 148.4 32.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.086 0.469 . . . . 0.0 111.123 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.6 t -84.84 178.45 7.61 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 170.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -62.65 -33.67 75.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.17 0.51 . . . . 0.0 110.729 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.14 24.83 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.64 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 53.67 16.58 1.01 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.234 1.414 . . . . 0.0 114.159 173.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.7 m -73.67 135.36 43.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.9 tp -69.92 116.3 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.577 HD22 ' HE2' ' A' ' 74' ' ' LYS . 94.5 mt -86.68 -48.24 8.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.019 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -165.26 167.13 18.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.539 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 t -155.93 154.12 30.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -148.11 160.66 42.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.448 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.7 m -81.55 135.32 35.58 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' ' 115' ' ' GLN . 1.3 pp -79.58 75.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -174.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.613 176.61 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 121.455 0.645 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.49 ' OE1' HG22 ' A' ' 59' ' ' VAL . 36.2 tt0 -61.45 -26.49 67.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.682 -175.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.421 HG13 HD23 ' A' ' 61' ' ' LEU . 77.9 t -62.69 -38.24 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.078 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -59.82 -56.64 16.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.179 -177.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.534 HD11 ' H ' ' A' ' 11' ' ' ILE . 3.9 mp -57.61 -51.07 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.132 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.544 ' HB3' HD11 ' A' ' 61' ' ' LEU . 40.4 m-85 -67.78 -40.45 84.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -64.14 -37.61 88.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -66.09 -29.28 69.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.367 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 11' ' ' ILE . 74.3 mt -63.8 -51.26 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' HA ' HG12 ' A' ' 19' ' ' VAL . 44.4 m-85 -66.64 -27.03 67.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.22 -48.58 64.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.234 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 7.9 mptt -75.91 -31.63 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.025 -175.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 16' ' ' PHE . 10.0 p -71.33 -24.44 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.935 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -73.1 -26.67 61.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.766 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' N ' HD21 ' A' ' 21' ' ' ASN . 0.9 OUTLIER -97.33 -49.78 4.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.185 0.517 . . . . 0.0 110.972 -179.114 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.475 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 33.0 t70 -85.36 -23.62 27.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.553 -173.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt 64.86 27.16 12.9 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.125 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.475 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 52.1 t-20 -86.38 94.26 9.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -69.63 -32.69 71.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.343 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.97 -48.86 78.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.933 0.397 . . . . 0.0 110.433 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -64.58 -40.33 95.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.366 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -57.89 -51.56 69.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.008 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -68.6 -25.01 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.474 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.9 m -66.52 -43.83 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.631 0.253 . . . . 0.0 110.496 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -71.02 -31.16 67.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.683 0.277 . . . . 0.0 110.968 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.97 -39.35 93.35 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.49 -30.38 70.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.235 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -96.26 -6.64 37.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.727 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -130.85 -58.55 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.834 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.46 HD22 ' HA ' ' A' ' 39' ' ' HIS . 6.5 t30 -87.16 88.54 7.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.081 0.467 . . . . 0.0 110.508 -178.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.36 -30.32 15.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.249 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.441 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 22.9 t -95.1 -94.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.46 ' HA ' HD22 ' A' ' 36' ' ' ASN . 51.1 p-80 -164.35 141.86 6.73 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.676 0.274 . . . . 0.0 111.387 -173.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.625 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 42.9 p90 -107.38 139.46 41.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 55.2 mt -101.46 110.94 29.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.111 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.68 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 20.0 t80 -101.75 122.21 43.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.846 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -95.58 112.2 23.97 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.94 149.54 47.01 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.711 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.745 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 72.26 -53.45 0.69 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.956 0.785 . . . . 0.0 111.791 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 m -66.21 -28.74 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.861 0.362 . . . . 0.0 110.795 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 6.2 mm-40 69.01 13.08 8.76 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.919 175.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -83.95 135.38 34.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.087 0.47 . . . . 0.0 110.342 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 6.2 t -120.31 122.21 67.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.025 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.429 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 11.0 m-70 -109.91 92.78 4.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.879 0.371 . . . . 0.0 110.108 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.486 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 56.9 mt -91.25 102.31 13.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.519 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' O ' ' HB3' ' A' ' 38' ' ' SER . 21.3 t -87.28 103.7 13.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 174.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.7 mt -51.93 -55.78 18.17 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.464 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.487 ' HB3' ' OD1' ' A' ' 56' ' ' ASP . 24.8 ttpp -148.94 -64.21 0.23 Allowed 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -167.59 19.21 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.816 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.487 ' OD1' ' HB3' ' A' ' 54' ' ' LYS . 1.3 m-20 -98.05 -73.35 0.62 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.83 -171.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -129.01 154.48 46.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.042 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 30.6 m -116.37 119.64 36.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.324 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.49 HG22 ' OE1' ' A' ' 8' ' ' GLN . 4.3 t -82.04 114.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.659 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 5.3 tt -100.37 113.33 25.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' ' 12' ' ' PHE . 17.3 mt -117.57 164.57 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.436 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 25.4 ttmm -131.69 114.22 14.51 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 169.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.92 -56.78 16.95 Favored Glycine 0 C--N 1.329 0.194 0 O-C-N 123.635 0.584 . . . . 0.0 113.392 -174.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 98.0 mt -136.8 -76.96 0.41 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.296 0.57 . . . . 0.0 110.302 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -161.88 -62.07 0.05 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.145 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.528 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 2.3 t30 -171.29 133.45 0.84 Allowed 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.745 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 14.5 tt -149.69 151.31 12.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -175.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.517 HG13 ' H ' ' A' ' 70' ' ' VAL . 46.7 t 73.01 154.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 O-C-N 123.301 0.376 . . . . 0.0 110.429 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 31.1 t -93.84 -32.62 13.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.529 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 87.9 t 69.88 134.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.671 0.607 . . . . 0.0 110.913 -175.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -135.63 134.34 39.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.076 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -82.63 32.35 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -174.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -84.35 63.81 7.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.486 0.66 . . . . 0.0 109.273 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 103' ' ' ALA . 74.6 mttt -58.86 112.35 1.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.453 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -147.35 126.63 13.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.7 ttt-85 -70.0 -35.61 74.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.461 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.58 -39.72 80.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.177 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.7 -34.69 76.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.73 0.3 . . . . 0.0 110.584 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.48 -46.27 96.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.22 -49.89 76.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.387 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -57.66 -44.5 85.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.31 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -67.22 -41.25 86.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -61.44 -43.29 99.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.395 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -72.88 -29.1 62.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.827 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -57.78 -47.45 82.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.135 0.493 . . . . 0.0 109.751 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.77 -49.15 55.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.095 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -67.36 -17.82 64.89 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.3 t -100.44 -58.29 1.93 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.144 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.69 -23.86 27.24 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -173.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 54.97 74.57 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.203 0.525 . . . . 0.0 110.098 -171.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.5 pt -79.13 -113.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.627 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.724 ' HB ' ' OE1' ' A' ' 95' ' ' GLU . 29.7 m -151.63 155.28 38.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -58.01 -33.27 68.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.93 0.492 . . . . 0.0 111.827 -173.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.38 -57.4 6.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.724 ' OE1' ' HB ' ' A' ' 92' ' ' THR . 23.5 mp0 -60.77 -35.66 76.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.825 -177.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -60.19 -45.01 94.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.529 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -78.7 -23.56 45.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.856 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 98' ' ' ARG . 60.7 mtt180 -63.5 -46.54 85.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.824 0.345 . . . . 0.0 110.349 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.9 -33.33 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.777 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.41 -44.25 88.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.482 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.529 ' HB3' ' HA ' ' A' ' 70' ' ' VAL . . . -68.18 -23.71 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -71.32 -22.84 61.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.41 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.635 ' O ' ' HA ' ' A' ' 74' ' ' LYS . . . -94.58 8.2 43.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.995 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.97 5.22 83.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.988 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.2 103.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.176 0.512 . . . . 0.0 110.711 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -106.79 -30.26 9.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.133 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.974 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 0.9 OUTLIER -106.23 104.14 13.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.478 -177.605 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.68 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.6 t90 -97.25 109.41 22.17 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.14 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.2 105.75 18.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.887 0.375 . . . . 0.0 111.081 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.625 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 57.9 m -92.35 108.95 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.434 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 66.3 t30 -100.95 93.71 5.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.001 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 45.0 mm -66.18 -25.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.108 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -58.02 -23.12 52.95 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.209 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 86.6 mt-10 -130.64 6.34 4.75 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.544 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 56.1 38.12 29.55 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.131 0.491 . . . . 0.0 111.157 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 59.3 mttp -131.79 138.78 48.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.645 -176.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.428 ' HG2' HG21 ' A' ' 110' ' ' THR . 74.5 mtm180 -104.57 114.46 28.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 173.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -95.76 120.04 35.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.615 -176.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -97.08 106.5 18.85 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.537 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.974 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 96.3 m-85 -106.47 151.26 25.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.882 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 t -85.97 176.07 8.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -63.84 -19.88 65.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.22 0.534 . . . . 0.0 110.318 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.74 0.94 28.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.907 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 69.7 15.56 8.05 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.204 0.601 . . . . 0.0 111.399 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.5 m -88.56 136.9 32.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.008 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.406 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . 51.7 tp -88.14 119.81 28.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.858 0.361 . . . . 0.0 110.76 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.58 -45.08 7.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -139.45 133.11 30.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.55 -172.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 55.6 m -108.0 107.14 17.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.521 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -102.67 140.39 37.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.203 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.7 t -105.91 124.19 49.17 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.6 pt -83.14 82.23 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.528 0.68 . . . . 0.0 111.497 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.367 178.185 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 CA--C 1.51 -0.593 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.473 ' O ' ' HD1' ' A' ' 12' ' ' PHE . 35.6 tt0 -61.11 -20.22 62.38 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 172.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.458 HG11 HD21 ' A' ' 61' ' ' LEU . 22.1 t -67.94 -36.89 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.825 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.4 -40.6 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.805 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.8 mp -64.95 -53.69 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.816 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.543 ' HB3' HD12 ' A' ' 61' ' ' LEU . 54.1 m-85 -59.78 -49.47 77.6 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -177.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HZ1' ' CG ' ' A' ' 17' ' ' ASP . 61.5 tttm -62.28 -38.93 91.23 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.612 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -55.67 -38.48 69.68 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.494 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 55.7 mt -60.35 -50.35 80.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.365 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.467 ' HA ' HG13 ' A' ' 19' ' ' VAL . 82.6 m-85 -68.56 -36.35 78.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.628 -177.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.419 ' CG ' ' HZ1' ' A' ' 13' ' ' LYS . 50.8 m-20 -59.04 -41.18 87.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 0.0 111.074 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -76.93 -44.38 31.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.368 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG13 ' HA ' ' A' ' 16' ' ' PHE . 8.6 p -66.81 -25.28 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.603 0.239 . . . . 0.0 111.086 -177.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -52.7 -47.46 67.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.27 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -104.57 -44.34 4.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.654 -172.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 24' ' ' ASN . 32.1 t70 -82.44 -28.28 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.355 -171.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.7 mt 65.13 33.65 9.27 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.366 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.403 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . 13.3 p-10 -79.79 84.94 5.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.749 0.785 . . . . 0.0 110.781 178.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 2.5 m-30 -70.47 -30.55 67.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.953 -175.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.93 -35.24 80.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.494 ' CZ3' ' HA ' ' A' ' 15' ' ' ILE . 43.1 t90 -83.85 -37.99 21.76 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 174.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.453 ' HB3' ' HA ' ' A' ' 25' ' ' TYR . 46.6 t80 -53.67 -56.69 15.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.259 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -71.91 -27.44 62.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.646 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.7 t -64.62 -51.32 63.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -68.42 -38.41 81.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.294 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.424 HD12 ' CZ ' ' A' ' 28' ' ' PHE . 32.7 mt -58.19 -47.57 83.03 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.537 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.562 ' HA ' HG23 ' A' ' 112' ' ' ILE . 33.1 ttpt -70.16 -22.83 62.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 0.0 111.059 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -91.5 -5.82 53.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.129 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 78.9 m-70 -130.51 -57.29 1.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.636 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -86.63 90.24 8.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.816 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.503 HG12 ' HE2' ' A' ' 54' ' ' LYS . 15.7 t -87.62 -7.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.786 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.7 t -110.49 -86.13 0.54 Allowed 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.78 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -173.44 151.0 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -175.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.609 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 40.9 p90 -126.28 144.71 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -107.05 111.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.802 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.803 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.3 t80 -96.74 117.04 30.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.241 178.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -90.34 116.31 28.2 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.24 170.74 13.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.781 -0.19 . . . . 0.0 110.673 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 72.04 -51.12 0.7 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.431 0.693 . . . . 0.0 111.791 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 p -91.63 -25.53 19.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.832 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 66.18 29.26 9.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.679 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -85.35 131.77 34.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.626 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.6 t -119.19 131.2 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.416 -176.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -114.88 105.34 12.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.605 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.432 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.5 mp -102.31 112.08 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.9 t -92.41 120.56 41.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 mt -77.28 -174.48 3.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.609 0.718 . . . . 0.0 112.302 -175.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.503 ' HE2' HG12 ' A' ' 37' ' ' VAL . 39.7 ttmt -67.99 -27.94 67.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.651 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -133.01 68.62 1.5 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.186 0.517 . . . . 0.0 110.671 -174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t70 78.97 -51.48 0.45 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.719 -1.128 . . . . 0.0 113.535 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -52.91 130.46 33.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.174 0.511 . . . . 0.0 112.059 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.0 m -114.52 126.49 55.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.683 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.6 139.92 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.892 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.454 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 8.5 mp -118.26 115.23 24.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.813 0.339 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.543 HD12 ' HB3' ' A' ' 12' ' ' PHE . 20.0 mt -103.31 167.02 10.09 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 174.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -152.12 124.68 8.34 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.581 176.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.52 -174.38 48.43 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 170.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -169.58 53.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.523 0.678 . . . . 0.0 111.882 -175.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -105.47 -23.79 12.74 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 170.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 61.78 88.53 0.09 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.706 174.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.3 mt -110.54 87.3 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.059 0.456 . . . . 0.0 109.926 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.68 71.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.791 0.805 . . . . 0.0 109.64 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -126.6 18.92 7.39 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.001 177.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.508 HG23 ' HB1' ' A' ' 101' ' ' ALA . 39.4 t -75.33 115.21 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.648 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' A' ' 73' ' ' SER . 31.2 mmmt -77.38 134.25 38.49 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 174.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -80.18 34.06 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.575 0.703 . . . . 0.0 110.763 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 71' ' ' LYS . 54.6 m -99.76 -164.37 1.12 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.116 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.514 ' HB2' HD23 ' A' ' 127' ' ' LEU . 21.4 pttm -158.2 101.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 111.211 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -137.07 148.25 46.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.877 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.561 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 11.7 ptm180 -100.32 -22.17 15.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.251 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -67.91 -41.48 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.68 0.276 . . . . 0.0 111.096 -172.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.27 -27.62 69.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.024 0.44 . . . . 0.0 109.975 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.431 HD11 ' HA ' ' A' ' 76' ' ' ARG . 51.0 mt -72.23 -50.09 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 174.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.564 ' HG2' ' CE1' ' A' ' 128' ' ' PHE . 38.1 mt-10 -58.14 -42.99 87.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.35 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.1 p -67.81 -37.45 82.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.053 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.444 HG23 ' HB2' ' A' ' 99' ' ' ASN . 67.1 m -73.1 -34.3 66.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.83 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 t -61.98 -47.35 85.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.33 0.586 . . . . 0.0 109.487 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.87 -34.98 78.52 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.149 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -67.73 -30.25 69.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.651 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 62.0 tp -74.17 -30.26 62.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.117 0.484 . . . . 0.0 110.259 177.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -76.62 -44.15 35.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.191 0.52 . . . . 0.0 110.331 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.5 t -76.42 -63.41 1.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.639 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -84.53 -30.37 25.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.194 -173.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 37.0 tt0 58.12 62.03 2.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.7 0.762 . . . . 0.0 110.621 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.3 pt -71.88 169.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.088 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.73 162.19 29.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -57.61 -41.91 82.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.275 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.508 ' HA ' ' HG2' ' A' ' 97' ' ' ARG . 4.8 pt20 -70.49 -24.91 62.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.651 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -34.99 34.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.228 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.404 ' O ' HD13 ' A' ' 100' ' ' LEU . 88.4 t80 -62.89 -48.84 77.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.001 174.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.508 ' HG2' ' HA ' ' A' ' 94' ' ' GLN . 33.1 ptt180 -68.43 -24.51 64.74 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.775 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -59.77 -50.03 75.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.116 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.444 ' HB2' HG23 ' A' ' 82' ' ' THR . 44.5 m-80 -71.69 -31.72 67.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.414 -177.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 96' ' ' TYR . 8.9 mp -66.35 -39.03 88.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.75 0.31 . . . . 0.0 110.674 177.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.508 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -61.49 -36.02 79.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.403 0.621 . . . . 0.0 110.088 175.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -69.1 -21.87 64.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.732 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.82 -8.46 52.02 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.98 0.419 . . . . 0.0 111.08 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 101.38 8.75 46.08 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.848 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.1 102.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.117 0.484 . . . . 0.0 110.361 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -105.64 -26.82 11.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.964 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.902 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 19.8 mmt180 -102.8 92.56 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.072 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.803 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.9 t90 -87.79 95.82 10.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.429 HG11 ' OD1' ' A' ' 111' ' ' ASN . 17.8 t -110.47 103.47 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.945 0.402 . . . . 0.0 110.665 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.609 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 28.0 m -96.6 112.65 24.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.874 0.369 . . . . 0.0 110.294 177.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.429 ' OD1' HG11 ' A' ' 109' ' ' VAL . 3.0 m-20 -97.89 108.27 20.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.068 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.562 HG23 ' HA ' ' A' ' 33' ' ' LYS . 49.5 mm -73.47 -31.12 31.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -64.6 -40.63 95.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.404 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -86.78 -10.82 52.68 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.161 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 62.89 32.6 15.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.827 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 61.7 mttp -143.23 150.36 39.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.171 0.51 . . . . 0.0 112.091 -173.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.523 ' HD3' ' OH ' ' A' ' 119' ' ' TYR . 95.3 mtt180 -95.83 114.22 25.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.705 173.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.41 119.88 39.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.991 0.424 . . . . 0.0 110.457 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.523 ' OH ' ' HD3' ' A' ' 117' ' ' ARG . 45.9 m-85 -107.22 109.33 21.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.945 0.402 . . . . 0.0 110.679 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.902 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 77.2 m-85 -105.18 144.48 31.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.709 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.641 ' HB ' HD12 ' A' ' 127' ' ' LEU . 5.6 t -77.71 174.01 11.43 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -61.84 -19.45 62.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.536 0.684 . . . . 0.0 109.831 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.55 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 31.7 t70 -78.81 2.17 20.81 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.403 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.55 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 1.7 t30 77.1 -9.86 1.45 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.24 0.543 . . . . 0.0 111.489 178.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.0 m -76.68 135.9 39.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.971 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.5 tp -75.75 127.39 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.424 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.641 HD12 ' HB ' ' A' ' 121' ' ' THR . 81.0 mt -101.24 -59.24 1.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 -177.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.564 ' CE1' ' HG2' ' A' ' 80' ' ' GLU . 57.0 t80 -138.53 157.32 46.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.392 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 31.9 m -144.16 108.5 4.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.686 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -105.76 128.58 53.79 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 18.9 p -86.39 141.36 29.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.897 0.38 . . . . 0.0 111.228 -175.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 40.2 pt -84.76 0.29 5.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.776 0.798 . . . . 0.0 109.21 174.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.977 173.555 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.439 ' OD1' HG21 ' A' ' 9' ' ' VAL . 9.9 t70 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.507 ' HA ' HD11 ' A' ' 11' ' ' ILE . 9.3 tt0 -68.99 -19.61 64.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.742 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.439 HG21 ' OD1' ' A' ' 7' ' ' ASP . 69.3 t -54.72 -39.74 48.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.72 174.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.9 t -59.74 -45.74 94.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.403 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.54 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -62.84 -53.38 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.733 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.535 ' HB3' HD12 ' A' ' 61' ' ' LEU . 23.0 m-85 -62.33 -48.67 78.82 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HB2' HD22 ' A' ' 61' ' ' LEU . 24.0 ttpp -63.05 -32.52 73.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.363 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -69.5 -33.56 73.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 11' ' ' ILE . 82.7 mt -63.82 -54.06 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.199 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.489 ' HA ' HG13 ' A' ' 19' ' ' VAL . 75.6 m-85 -64.38 -32.74 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.235 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 9.1 t0 -60.6 -47.49 85.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.311 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -68.2 -53.29 25.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.267 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.489 HG13 ' HA ' ' A' ' 16' ' ' PHE . 7.4 p -65.33 -19.13 25.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -175.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.561 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 14.4 ttp85 -55.27 -48.54 73.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.207 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -103.07 -37.9 7.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.389 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.41 -29.83 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.077 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 mt 61.04 32.27 19.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.932 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -77.74 70.43 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.68 0.753 . . . . 0.0 110.212 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.506 ' HH ' ' HD1' ' A' ' 93' ' ' PHE . 51.7 m-85 -59.82 -23.27 63.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.631 -178.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -60.98 -41.69 96.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.003 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.8 t90 -83.33 -31.45 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.134 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.518 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.4 t80 -60.5 -49.68 76.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.555 177.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -66.7 -33.9 76.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.063 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 p -72.6 -43.12 63.74 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.996 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -66.24 -33.05 74.87 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.648 0.261 . . . . 0.0 111.264 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 74.4 mt -60.55 -53.6 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.254 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.584 ' HD3' HG23 ' A' ' 112' ' ' ILE . 34.4 mmtp -66.76 -14.99 63.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.612 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -97.33 -13.62 21.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -130.84 -61.29 0.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.386 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.422 ' O ' HG13 ' A' ' 112' ' ' ILE . 35.1 t30 -79.58 89.99 5.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.883 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.618 HG21 ' HD3' ' A' ' 54' ' ' LYS . 44.6 t -77.79 -31.45 17.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.477 -178.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.3 t -97.56 -79.26 0.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.691 -175.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -168.12 147.28 4.62 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.66 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.477 ' HB2' HG12 ' A' ' 51' ' ' ILE . 32.0 p90 -122.09 131.09 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 171.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.539 ' HB ' ' HB3' ' A' ' 50' ' ' HIS . 28.0 mt -106.77 108.62 25.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.227 -177.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.737 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -89.3 111.34 22.14 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -87.36 95.89 10.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' ' 44' ' ' LEU . 6.9 mp -54.47 -49.52 69.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -170.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 106' ' ' PHE . . . -68.99 -9.53 52.84 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -115.82 -9.35 11.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.316 0.579 . . . . 0.0 109.804 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 51.91 31.31 8.28 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.307 -173.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.19 127.39 45.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.363 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.556 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 7.9 t -100.53 107.55 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.87 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.539 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 16.6 t-160 -91.37 85.49 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.294 -177.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.477 HG12 ' HB2' ' A' ' 40' ' ' TYR . 28.9 mt -93.54 111.85 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.304 -175.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.3 t -104.28 118.05 50.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.9 mt -78.48 -164.93 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.336 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.618 ' HD3' HG21 ' A' ' 37' ' ' VAL . 14.6 pttp -66.38 -70.35 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.408 ' H ' ' HG3' ' A' ' 54' ' ' LYS . 20.6 m120 -144.73 15.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.41 -72.24 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.667 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -167.22 -172.14 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.384 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 m -117.66 136.82 53.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.04 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -112.99 122.68 67.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.556 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 6.3 mp -115.52 99.14 7.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.654 0.264 . . . . 0.0 110.583 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 12' ' ' PHE . 23.8 mt -82.27 132.79 35.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.929 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -104.11 116.28 31.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.108 0.48 . . . . 0.0 110.275 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.04 -152.73 12.1 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.633 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.9 mt -71.12 -25.91 62.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.615 0.245 . . . . 0.0 110.96 -175.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 30.3 mtmm 65.48 23.96 11.88 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.411 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.463 ' C ' HD21 ' A' ' 66' ' ' ASN . 0.2 OUTLIER -98.48 -38.21 9.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.371 -177.183 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 67' ' ' ILE . 2.0 mp -78.17 82.65 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.206 1.003 . . . . 0.0 109.668 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.3 p -108.66 19.45 5.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 122.695 1.236 . . . . 0.0 108.429 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 p -84.93 26.03 0.88 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.859 -1.519 . . . . 0.0 111.989 -172.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.89 113.03 4.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -95.14 159.33 15.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.687 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.616 ' HA ' ' HE1' ' A' ' 122' ' ' PHE . 11.9 p90 -75.81 77.06 2.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.139 0.971 . . . . 0.0 110.253 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.6 m -134.5 170.81 15.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.171 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -157.54 86.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.285 0.564 . . . . 0.0 110.902 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -133.98 137.38 44.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.461 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' HB2' ' HB2' ' A' ' 128' ' ' PHE . 35.8 ptt180 -100.81 -16.83 17.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.33 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -74.39 -35.57 63.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.534 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 HD23 ' HD3' ' A' ' 102' ' ' LYS . 48.1 tp -60.26 -43.3 96.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.826 0.346 . . . . 0.0 110.125 174.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.35 -48.16 90.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.157 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.43 -45.87 76.76 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.8 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -65.96 -38.51 88.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.979 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.553 HG21 ' CD1' ' A' ' 96' ' ' TYR . 31.2 m -70.31 -37.51 74.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.748 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 t -58.86 -47.72 83.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.329 0.585 . . . . 0.0 109.472 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -62.68 -37.42 86.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.888 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.64 -46.45 88.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.623 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 96' ' ' TYR . 4.4 mm? -67.64 -41.45 83.82 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.419 0.628 . . . . 0.0 109.905 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -58.03 -48.47 79.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.015 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.4 t -93.44 -38.75 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -91.32 -28.18 17.91 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -170.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 59.03 49.93 8.87 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.385 0.428 . . . . 0.0 110.755 -176.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.479 HG13 HD13 ' A' ' 86' ' ' LEU . 2.9 pt -72.49 -95.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.426 ' H ' HG13 ' A' ' 91' ' ' ILE . 41.7 m -155.84 142.48 18.74 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.561 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 55.9 t80 -63.59 -35.03 79.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.838 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 1.5 pp0? -69.38 -27.92 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.786 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' HB3' HD11 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -68.15 -41.24 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.517 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.553 ' CD1' HG21 ' A' ' 82' ' ' THR . 77.7 t80 -56.24 -47.39 78.59 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.196 174.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -60.55 -39.67 88.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.227 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 22.0 mtp180 -65.78 -39.56 91.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 111.437 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -68.35 -31.94 71.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 96' ' ' TYR . 9.5 mp -68.02 -40.74 82.87 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.492 175.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 -35.79 81.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.204 0.526 . . . . 0.0 110.283 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.459 ' HD3' HD23 ' A' ' 78' ' ' LEU . 77.7 tttt -65.02 -32.02 73.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.606 176.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.421 ' HB2' HD21 ' A' ' 78' ' ' LEU . . . -79.91 -14.21 58.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.114 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.97 11.12 35.29 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 81.1 t -76.37 122.43 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.11 0.481 . . . . 0.0 110.662 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 45' ' ' ALA . 30.4 t80 -121.55 -25.67 5.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.16 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.755 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 5.5 mpt_? -104.09 90.29 3.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.183 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.737 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 3.0 t90 -88.72 82.56 6.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 174.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 HG22 ' A' ' 41' ' ' ILE . 19.5 t -96.33 96.81 5.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.432 -176.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.431 HG23 ' HG2' ' A' ' 117' ' ' ARG . 93.9 m -90.1 102.98 15.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.251 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.561 ' HB3' ' HB2' ' A' ' 114' ' ' GLU . 9.8 m120 -88.98 113.66 24.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.324 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.584 HG23 ' HD3' ' A' ' 33' ' ' LYS . 31.7 mm -76.78 -46.74 29.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.793 -177.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -63.91 -33.21 75.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.086 0.47 . . . . 0.0 110.315 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 111' ' ' ASN . 8.3 mp0 -86.08 -12.53 49.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.804 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 63.08 30.32 16.19 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.666 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 54.3 mttp -144.11 141.84 30.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.207 0.527 . . . . 0.0 111.945 -177.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.439 ' NH2' ' HG3' ' A' ' 130' ' ' GLU . 85.3 mtm180 -98.43 108.79 21.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.415 173.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -94.99 113.97 25.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -100.14 105.45 17.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.891 0.377 . . . . 0.0 110.556 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.755 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 75.4 m-85 -103.48 148.03 26.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.201 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.496 ' HB ' HD12 ' A' ' 127' ' ' LEU . 10.0 t -76.51 179.74 5.73 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.616 ' HE1' ' HA ' ' A' ' 72' ' ' PHE . 47.5 p90 -67.47 -16.42 64.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.143 0.497 . . . . 0.0 110.594 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -83.46 -1.02 52.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.391 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 69.49 16.48 8.17 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.576 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.4 m -84.19 132.82 34.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.3 tp -73.23 106.94 5.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.496 HD12 ' HB ' ' A' ' 121' ' ' THR . 77.0 mt -80.94 -52.45 7.43 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.152 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.445 ' HB2' ' HB2' ' A' ' 76' ' ' ARG . 71.2 t80 -154.1 153.82 32.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.822 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.0 t -133.44 122.08 23.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.241 0.543 . . . . 0.0 109.982 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.439 ' HG3' ' NH2' ' A' ' 117' ' ' ARG . 8.0 tp10 -109.6 116.83 32.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.407 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.51 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 20.2 m -69.69 147.3 50.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.11 0.481 . . . . 0.0 111.604 -174.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 20.4 pt -98.82 122.42 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 170.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -168.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -55.13 -36.51 65.83 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.28 0.363 . . . . 0.0 110.912 -177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.426 HG12 HD22 ' A' ' 61' ' ' LEU . 72.9 t -62.95 -38.58 82.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.024 0.44 . . . . 0.0 110.86 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.1 -41.75 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.747 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.0 mp -64.87 -52.32 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.634 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -64.01 -41.19 97.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.53 -30.65 67.46 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.152 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.45 -32.42 74.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.048 0.451 . . . . 0.0 109.797 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.508 ' HA ' ' HZ2' ' A' ' 27' ' ' TRP . 75.8 mt -60.77 -48.9 86.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.165 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.455 ' HA ' HG11 ' A' ' 19' ' ' VAL . 78.8 m-85 -69.86 -31.4 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.015 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 8.8 t0 -65.28 -46.37 80.7 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.9 ' HE2' ' HA ' ' A' ' 18' ' ' LYS . 7.3 mmpt? -60.77 -44.79 96.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.678 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.56 ' O ' HD21 ' A' ' 23' ' ' LEU . 11.4 p -69.82 -32.58 52.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.713 -175.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' HD2' ' C ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -80.6 -19.62 45.08 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.815 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -94.21 -51.0 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.275 0.559 . . . . 0.0 110.877 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.603 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . 2.6 m-20 -91.37 -30.63 16.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.378 -171.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.56 HD21 ' O ' ' A' ' 19' ' ' VAL . 52.9 mt 66.65 10.28 7.31 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.603 ' OD1' ' HB3' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -79.44 84.72 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.239 -0.585 . . . . 0.0 109.891 172.251 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.654 ' HH ' HD11 ' A' ' 86' ' ' LEU . 97.7 m-85 -60.56 -25.19 65.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.046 -175.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.638 HE21 ' HA ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -56.31 -31.33 63.6 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 110.548 179.076 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.508 ' HZ2' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -76.56 -39.47 52.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.072 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.52 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 76.9 t80 -77.91 -37.64 47.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.103 -167.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' A' ' 25' ' ' TYR . 62.4 m-85 -70.31 -22.92 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 0.0 110.071 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 m -72.88 -37.65 67.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.541 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HG3' HG21 ' A' ' 15' ' ' ILE . 62.9 mm-40 -61.45 -45.94 92.17 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.571 173.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 90.8 mt -59.5 -48.95 79.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.769 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -71.83 -21.93 61.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.773 0.321 . . . . 0.0 111.371 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 -93.34 -27.79 16.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -116.19 -48.55 2.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.168 -0.332 . . . . 0.0 111.618 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -82.15 80.24 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.365 0.603 . . . . 0.0 109.881 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -71.79 -33.32 47.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.268 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.492 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 13.0 t -97.07 -85.08 0.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.722 -176.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -174.66 142.47 0.72 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.679 0.276 . . . . 0.0 110.614 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.441 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 38.2 p90 -113.28 143.71 43.96 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.143 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 108' ' ' TRP . 4.4 mp -111.99 114.34 46.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.68 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.79 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.8 t80 -92.89 133.5 36.03 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -109.11 99.79 9.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.28 0.562 . . . . 0.0 109.715 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.44 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 66.0 mt -69.94 -8.38 48.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.212 -172.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' HB3' HG23 ' A' ' 70' ' ' VAL . . . -82.48 -6.72 59.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.761 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.536 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 2.7 p -142.39 -3.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.331 0.395 . . . . 0.0 111.534 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 46' ' ' THR . 13.1 mm-40 66.41 16.84 10.54 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.221 -171.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.79 155.11 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.911 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.47 142.38 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.602 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -120.16 99.85 6.84 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.416 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.8 mp -93.31 110.46 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.279 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.492 ' O ' ' HB3' ' A' ' 38' ' ' SER . 19.4 t -90.35 112.08 24.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 78.9 mt -71.21 -177.46 1.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.499 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -41.31 -58.02 1.97 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.622 0.576 . . . . 0.0 111.976 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -168.79 35.74 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -104.64 -72.82 0.69 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.996 -171.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -143.69 156.79 44.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.434 -174.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 52' ' ' VAL . 24.5 m -107.81 94.98 5.37 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 172.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.8 t -72.91 117.13 16.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.696 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.4 pt? -99.59 109.14 21.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.594 0.711 . . . . 0.0 110.729 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD22 HG12 ' A' ' 9' ' ' VAL . 54.1 mt -93.46 133.2 36.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.721 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -99.3 114.7 27.69 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.83 -75.85 0.83 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.731 -0.668 . . . . 0.0 113.167 -173.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -110.87 -75.69 0.62 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -178.74 -64.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.536 ' O ' ' HA ' ' A' ' 46' ' ' THR . 17.2 m120 -129.27 -79.48 0.56 Allowed 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.489 174.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 67' ' ' ILE . 8.9 tp 48.82 34.84 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 122.034 0.921 . . . . 0.0 111.709 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.51 102.48 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.808 0.813 . . . . 0.0 111.292 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.8 m -109.71 11.06 24.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.348 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.607 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 48.8 t -70.93 105.96 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.348 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -86.11 139.97 30.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.428 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.41 85.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.309 0.576 . . . . 0.0 110.048 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.449 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 73.9 m -153.66 168.62 25.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.801 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.442 ' HE2' ' OD1' ' A' ' 123' ' ' ASP . 67.7 mttt -134.02 51.15 2.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -86.98 116.97 25.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.577 -171.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -88.36 -18.05 29.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.506 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -83.63 -33.83 25.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.847 0.356 . . . . 0.0 110.046 -176.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.2 tp -65.71 -35.55 81.07 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.07 -48.97 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.854 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.63 -48.61 74.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.697 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.4 m -60.65 -45.01 95.7 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.965 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.0 m -64.29 -43.84 93.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.876 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.6 t -59.44 -50.71 72.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.892 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -58.88 -44.92 91.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.858 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.754 ' HE2' HG22 ' A' ' 91' ' ' ILE . 87.4 tttt -60.56 -38.06 83.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.654 HD11 ' HH ' ' A' ' 25' ' ' TYR . 51.5 tp -72.4 -53.0 13.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 111.368 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -73.69 -23.56 59.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.891 -172.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.6 m -98.68 -47.87 5.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -99.7 4.45 45.53 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -173.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 74.11 -56.97 0.63 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.083 0.553 . . . . 0.0 112.337 173.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.754 HG22 ' HE2' ' A' ' 85' ' ' LYS . 35.3 pt 34.82 -124.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.266 1.026 . . . . 0.0 112.989 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -147.87 142.2 26.27 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.453 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 61.3 t80 -59.22 -29.12 67.28 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.304 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.55 -47.06 85.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.093 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -64.48 -37.65 88.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.063 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.476 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 71.3 t80 -54.29 -53.04 59.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.883 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.453 ' HD3' ' CE2' ' A' ' 93' ' ' PHE . 17.6 mtm180 -64.29 -37.82 88.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.0 0.428 . . . . 0.0 110.785 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -46.82 76.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.137 -175.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -69.53 -27.18 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.132 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 96' ' ' TYR . 79.2 mt -63.12 -45.25 92.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.288 175.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.607 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -61.81 -33.75 74.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.548 0.69 . . . . 0.0 110.189 176.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -69.18 -19.03 63.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.665 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.72 -16.92 27.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.79 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 117.77 2.72 16.66 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.655 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.25 116.52 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.235 0.541 . . . . 0.0 110.681 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.511 ' HB3' ' HA ' ' A' ' 122' ' ' PHE . 55.7 t80 -113.56 -26.83 8.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.437 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 1.02 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 53.1 mmm-85 -113.02 99.37 7.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.352 . . . . 0.0 110.962 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.79 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.2 t90 -91.94 101.6 14.17 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 174.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.5 t -110.85 108.09 24.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.441 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 58.8 m -104.08 105.78 16.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.68 176.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -102.59 115.58 30.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.1 mm -76.32 -23.82 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.435 -173.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -59.86 -30.8 69.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -112.73 -6.03 13.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.607 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 58.92 39.85 23.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.421 0.629 . . . . 0.0 110.341 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -119.61 143.28 47.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.012 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.4 ' HG2' ' OG1' ' A' ' 110' ' ' THR . 49.6 mtt180 -111.49 109.96 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.374 171.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -90.99 126.2 36.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.727 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -109.76 108.72 19.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.857 0.361 . . . . 0.0 110.352 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 1.02 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 63.3 m-85 -102.31 145.47 29.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.043 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.741 ' HB ' HD13 ' A' ' 127' ' ' LEU . 2.4 t -69.93 170.92 10.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.761 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.511 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 72.7 t80 -58.3 -37.12 74.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.42 -177.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.442 ' OD1' ' HE2' ' A' ' 74' ' ' LYS . 8.5 p-10 -83.72 5.8 23.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.201 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 69.95 92.24 0.09 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 111.809 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.6 t -167.55 143.91 4.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -74.61 118.95 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.958 -173.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.741 HD13 ' HB ' ' A' ' 121' ' ' THR . 83.3 mt -101.98 -56.08 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.456 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -135.26 154.25 51.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.06 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.2 m -138.25 103.24 4.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.007 0.432 . . . . 0.0 110.152 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -94.86 109.52 21.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.568 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.4 t -82.48 123.32 29.06 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.2 pt -74.77 75.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.942 0.877 . . . . 0.0 111.014 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-N 114.087 -1.415 . . . . 0.0 107.415 178.183 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -57.44 -31.87 66.34 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 61' ' ' LEU . 58.3 t -59.62 -42.26 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.167 178.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.86 -46.17 97.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.257 -176.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 mp -61.19 -51.71 69.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.15 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.509 ' HB2' HD22 ' A' ' 61' ' ' LEU . 63.0 m-85 -67.1 -41.48 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.22 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 62.6 tttm -62.06 -38.17 87.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.3 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.484 HE21 ' HA ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -60.02 -35.93 76.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.446 -179.59 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.49 -45.64 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.977 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' HA ' HG12 ' A' ' 19' ' ' VAL . 84.6 m-85 -70.98 -37.59 72.72 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.146 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 10.2 m-20 -61.56 -39.15 90.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.02 0.438 . . . . 0.0 111.06 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -68.82 -52.38 30.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.067 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 16' ' ' PHE . 7.8 p -68.38 -22.83 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -171.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.598 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 34.9 ptt85 -71.66 -18.63 62.17 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.067 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -120.41 -44.54 2.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.05 0.452 . . . . 0.0 110.902 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.9 -34.51 71.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.709 -176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 HD11 ' HA ' ' A' ' 92' ' ' THR . 91.9 mt 63.72 20.06 12.04 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.834 173.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -79.29 87.3 4.98 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.056 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.502 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 72.1 m-85 -72.21 -16.96 61.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.372 -177.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -59.58 -44.4 93.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.222 0.534 . . . . 0.0 109.878 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -79.95 -36.97 35.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.502 ' HB3' ' HA ' ' A' ' 25' ' ' TYR . 48.0 t80 -58.16 -57.11 14.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.367 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -71.17 -26.68 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.586 0.232 . . . . 0.0 111.215 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 38.5 t -63.31 -47.95 80.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 109.99 176.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -70.6 -36.07 73.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.937 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 73.9 mt -58.48 -44.72 89.45 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.326 176.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' HD2' ' O ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -72.45 -21.17 61.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -177.201 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 30' ' ' SER . 58.8 mtm180 -100.94 -4.47 27.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -131.02 -57.22 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.297 0.57 . . . . 0.0 110.803 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -83.21 80.22 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.936 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.46 ' HB ' ' HA ' ' A' ' 54' ' ' LYS . 45.1 t -74.96 -25.19 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 50.4 m -96.88 -82.21 0.41 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.389 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.458 ' CB ' ' HA ' ' A' ' 111' ' ' ASN . 37.5 p-80 -179.8 155.21 0.62 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.655 -175.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.597 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 44.8 p90 -123.02 144.43 49.27 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.49 HG22 HG22 ' A' ' 109' ' ' VAL . 4.6 mp -112.0 116.57 52.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.367 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 1.007 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.2 t80 -100.14 114.04 27.12 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.821 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -94.08 107.93 19.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.803 0.335 . . . . 0.0 110.433 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.96 160.68 31.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.93 12.47 6.85 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.344 0.593 . . . . 0.0 110.817 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.7 m -145.45 -33.34 0.36 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.728 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.679 ' HG3' HD12 ' A' ' 67' ' ' ILE . 5.2 mm-40 71.89 19.64 4.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.41 174.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -90.97 113.36 25.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.444 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 11.3 t -110.9 113.77 45.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.96 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -104.15 102.71 12.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.745 0.307 . . . . 0.0 110.888 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 51' ' ' ILE . 4.1 mp -92.05 116.16 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.183 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 38' ' ' SER . 39.8 t -94.32 111.97 26.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.4 mt -72.11 -164.57 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.375 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.529 ' HB3' ' HZ1' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -55.66 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.932 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -140.97 15.51 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' OD1' ' HB3' ' A' ' 54' ' ' LYS . 4.4 m-20 -85.04 -77.37 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.239 -1.346 . . . . 0.0 111.102 -169.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -159.56 173.7 15.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.67 0.272 . . . . 0.0 110.82 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.7 m -102.26 127.22 49.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.051 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.1 t -100.25 116.62 43.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.127 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.667 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.7 pt? -102.22 112.37 25.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.354 0.597 . . . . 0.0 110.718 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' A' ' 12' ' ' PHE . 31.7 mt -98.36 149.83 22.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.068 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -124.68 122.21 36.86 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 170.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.1 -68.58 1.61 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.645 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.629 ' HB2' HD11 ' A' ' 67' ' ' ILE . 90.6 mt -137.76 -73.84 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -175.5 -63.37 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.235 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -103.82 -86.45 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.536 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.679 HD12 ' HG3' ' A' ' 47' ' ' GLU . 4.3 mp 47.63 65.38 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.829 0.823 . . . . 0.0 110.25 -173.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 68' ' ' VAL . 7.7 p -79.12 82.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 122.189 0.995 . . . . 0.0 110.678 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -105.0 -1.54 25.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.792 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.1 t -85.41 129.36 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.736 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -110.93 147.27 35.0 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.22 84.07 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.152 0.501 . . . . 0.0 110.765 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.555 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 8.2 m -134.93 163.06 30.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.582 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -136.79 55.37 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.365 0.602 . . . . 0.0 109.512 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' A' ' 77' ' ' HIS . 27.6 t70 -108.55 102.5 11.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.797 -171.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.531 ' HA ' HD11 ' A' ' 79' ' ' ILE . 18.0 ttt-85 -66.4 -32.53 73.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.4 175.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.528 ' HB3' ' OD1' ' A' ' 75' ' ' ASP . 0.8 OUTLIER -50.99 -53.68 31.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.703 178.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.418 HD21 ' HB1' ' A' ' 103' ' ' ALA . 40.1 tp -64.36 -35.94 82.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.486 0.184 . . . . 0.0 110.91 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 76' ' ' ARG . 67.8 mt -57.8 -55.27 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.007 0.432 . . . . 0.0 110.469 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.38 -46.37 86.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.261 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.2 m -59.01 -37.81 77.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.879 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.506 HG21 ' HB2' ' A' ' 99' ' ' ASN . 91.1 m -72.15 -38.98 69.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.247 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.43 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 17.5 t -62.14 -40.3 95.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.068 0.461 . . . . 0.0 109.858 176.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -64.93 -32.56 74.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.006 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.735 ' HD2' HD12 ' A' ' 91' ' ' ILE . 33.1 ttmt -65.37 -46.03 81.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.006 0.431 . . . . 0.0 110.256 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -67.43 -39.22 85.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.059 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.4 -20.81 64.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.904 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t -92.52 -59.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.363 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -100.31 -81.17 0.47 Allowed 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.301 -0.559 . . . . 0.0 112.216 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 170.92 -45.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.389 0.431 . . . . 0.0 111.17 -175.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.735 HD12 ' HD2' ' A' ' 85' ' ' LYS . 25.0 pt 37.2 -122.95 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.801 0.84 . . . . 0.0 112.525 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.475 ' HA ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -155.89 155.38 32.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.598 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 68.2 t80 -62.2 -34.76 77.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.98 0.419 . . . . 0.0 110.21 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -68.48 -40.77 80.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -61.81 -49.06 77.82 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.43 ' HE1' ' HA ' ' A' ' 83' ' ' SER . 52.2 t80 -56.38 -46.53 80.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.9 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -66.23 -38.98 89.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.38 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.9 ttm-85 -61.2 -46.18 91.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.443 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.506 ' HB2' HG21 ' A' ' 82' ' ' THR . 42.7 m-80 -66.96 -36.78 82.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 111.001 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.35 -49.05 79.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.047 0.451 . . . . 0.0 110.242 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.61 83.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.916 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.9 -27.27 64.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.224 0.535 . . . . 0.0 110.757 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.418 ' HB1' HD21 ' A' ' 78' ' ' LEU . . . -80.33 -9.42 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.687 178.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.555 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 105.8 8.03 35.23 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.695 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.97 101.59 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 0.0 110.43 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -98.84 -26.23 14.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.843 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.873 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 6.5 ttm180 -121.26 97.42 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.659 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 1.007 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.1 t90 -91.49 102.35 15.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.246 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.49 HG22 HG22 ' A' ' 41' ' ' ILE . 31.0 t -113.32 107.69 23.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.002 0.429 . . . . 0.0 110.856 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.597 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 48.4 m -105.51 112.48 25.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.026 0.441 . . . . 0.0 110.434 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.458 ' HA ' ' CB ' ' A' ' 39' ' ' HIS . 3.6 m-20 -96.75 109.49 22.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.462 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.2 mm -74.35 -31.27 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.705 176.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -67.07 -24.67 65.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.691 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -106.49 -8.14 17.21 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.706 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 54.1 40.49 31.69 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.971 0.415 . . . . 0.0 111.189 -173.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -141.93 141.54 32.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.234 0.54 . . . . 0.0 111.843 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.475 ' HG2' HG21 ' A' ' 110' ' ' THR . 60.8 mtm180 -101.81 112.55 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.773 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -98.55 128.65 44.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.279 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -113.51 110.71 20.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.873 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 82.8 m-85 -109.26 145.45 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.217 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.491 ' HB ' HD11 ' A' ' 127' ' ' LEU . 9.9 t -83.81 -179.77 7.37 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 171.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -62.33 -28.23 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.064 0.459 . . . . 0.0 110.251 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 29.4 t70 -69.39 -9.12 52.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.471 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 27.3 t-20 76.16 4.37 3.72 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.767 0.794 . . . . 0.0 110.186 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -70.98 122.56 20.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.878 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 49.2 tp -71.78 110.74 6.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.927 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.491 HD11 ' HB ' ' A' ' 121' ' ' THR . 98.0 mt -90.91 -38.77 12.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.178 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 18.9 t80 -141.62 145.11 34.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.842 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.0 m -138.63 103.05 4.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.823 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.481 ' HB2' ' CE2' ' A' ' 128' ' ' PHE . 18.7 tt0 -112.4 125.68 54.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.692 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.8 t -86.41 126.23 34.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 175.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.3 pt -76.5 90.23 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.549 0.69 . . . . 0.0 110.802 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.977 -178.258 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 CA--C 1.518 -0.254 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.65 -31.07 71.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.204 0.526 . . . . 0.0 110.592 -177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.19 -36.09 70.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.204 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.71 -46.8 93.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.222 -177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.526 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -62.66 -50.98 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.678 -178.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.533 ' HB3' HD11 ' A' ' 61' ' ' LEU . 23.6 m-85 -64.5 -46.08 84.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.802 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' HD2' ' O ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -63.62 -36.09 82.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.317 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.43 -29.5 69.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.351 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 11' ' ' ILE . 71.4 mt -61.85 -49.16 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.119 0.485 . . . . 0.0 109.704 176.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.511 ' HA ' HG13 ' A' ' 19' ' ' VAL . 95.9 m-85 -70.49 -33.55 71.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.529 177.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.469 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 7.2 t70 -64.87 -34.85 79.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.639 -178.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -49.99 17.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.573 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.511 HG13 ' HA ' ' A' ' 16' ' ' PHE . 9.1 p -66.5 -27.68 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.876 -174.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.476 ' HB2' ' NE2' ' A' ' 94' ' ' GLN . 46.3 ptt85 -72.29 -7.52 49.9 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.215 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -118.22 -54.12 2.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.19 -22.15 52.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.186 -173.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.2 mt 64.25 23.75 13.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 110.689 -175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -81.68 91.93 6.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.229 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.507 ' HH ' ' HD1' ' A' ' 93' ' ' PHE . 61.4 m-85 -80.64 -21.8 41.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -59.89 -52.55 64.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.063 0.459 . . . . 0.0 110.247 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -73.82 -33.39 64.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.293 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.512 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 36.9 t80 -58.96 -57.24 13.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -69.37 -26.9 64.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.32 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.598 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 24.4 t -58.5 -53.58 56.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.079 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -70.98 -33.33 70.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.426 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 46.3 mt -57.38 -51.3 69.97 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.558 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -70.29 -12.68 61.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.883 0.373 . . . . 0.0 111.232 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 30' ' ' SER . 71.7 mtp180 -88.82 -23.28 22.86 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 122.126 -0.359 . . . . 0.0 111.469 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -124.34 -53.1 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.083 0.468 . . . . 0.0 110.608 -174.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -82.32 90.15 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.911 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.617 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 17.7 t -84.32 -8.4 11.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.552 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -118.59 -94.65 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.551 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -158.51 146.11 18.01 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 122.165 -0.334 . . . . 0.0 111.145 -172.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -120.14 141.92 49.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.893 0.377 . . . . 0.0 110.502 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.2 mt -106.43 106.9 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.85 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.965 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.4 t80 -93.42 107.92 19.68 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.941 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.528 ' HB2' ' HB3' ' A' ' 48' ' ' ASN . 96.3 m-85 -88.73 104.15 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' A' ' 97' ' ' ARG . 5.9 mp -64.38 -27.07 68.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.47 -171.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.512 ' HB3' HG22 ' A' ' 68' ' ' VAL . . . -76.32 -10.21 59.23 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 m -138.33 -2.38 1.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.608 ' HG2' HD12 ' A' ' 67' ' ' ILE . 10.1 mm-40 55.46 34.78 23.72 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.865 0.841 . . . . 0.0 109.355 -169.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.528 ' HB3' ' HB2' ' A' ' 43' ' ' TYR . 2.8 t-20 -94.03 98.18 10.83 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.804 -176.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 t -98.17 123.89 50.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.594 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -106.88 96.48 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.31 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.4 mp -87.57 98.49 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.51 115.36 18.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.2 mt -72.46 179.66 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.42 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.617 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 83.4 tttt -68.11 -22.16 64.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.717 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -129.34 63.22 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.003 0.43 . . . . 0.0 111.297 -175.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t70 77.58 -50.04 0.52 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 165.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -58.55 140.7 53.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.057 0.456 . . . . 0.0 110.984 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.6 m -122.03 124.39 43.87 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.104 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.538 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 20.0 t -78.13 117.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 tt -102.2 107.38 18.43 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 12' ' ' PHE . 51.6 mt -100.52 143.8 30.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.388 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -129.12 112.69 14.24 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.49 -66.27 2.63 Favored Glycine 0 CA--C 1.506 -0.496 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.887 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.572 ' HB2' HD11 ' A' ' 67' ' ' ILE . 91.8 mt -127.47 -98.21 0.39 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -157.04 -72.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.29 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -118.44 111.31 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.373 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.608 HD12 ' HG2' ' A' ' 47' ' ' GLU . 3.7 mp -131.35 43.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 45' ' ' ALA . 46.8 t -75.05 86.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.425 -176.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.7 p -105.97 -3.85 21.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.106 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.417 HG23 ' HB3' ' A' ' 101' ' ' ALA . 40.4 t -69.75 133.83 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.266 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.421 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 21.7 mtpp -115.4 155.24 27.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.995 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -82.88 74.68 9.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.295 0.569 . . . . 0.0 109.88 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.415 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 50.5 m -133.39 166.16 23.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.549 -177.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -134.44 95.84 3.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.145 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -139.45 137.44 35.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.838 0.352 . . . . 0.0 110.148 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -100.48 -25.54 14.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.587 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 87.6 m-70 -84.51 -25.09 29.05 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.617 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.69 -35.66 81.76 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.46 -49.24 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.685 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' A' ' 77' ' ' HIS . 40.0 tt0 -56.02 -50.83 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.763 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 p -63.64 -40.78 97.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.667 0.27 . . . . 0.0 111.707 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.0 m -68.62 -36.18 78.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.79 0.328 . . . . 0.0 110.546 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t -67.74 -38.45 83.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -64.57 -37.22 86.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.105 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -66.92 -33.49 75.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.34 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.12 -40.32 94.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.046 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -74.35 -39.52 62.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.273 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.8 m -74.44 -50.9 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.39 -177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.592 ' HD2' ' HG2' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -100.49 -78.45 0.52 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.515 -0.474 . . . . 0.0 109.832 -178.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.592 ' HG2' ' HD2' ' A' ' 89' ' ' ARG . 12.7 pt-20 152.6 -31.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.631 1.173 . . . . 0.0 108.582 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.3 pt 37.83 -130.43 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.312 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.1 m -149.86 153.6 37.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.544 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 56.1 t80 -56.83 -33.05 66.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.025 0.441 . . . . 0.0 110.533 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.476 ' NE2' ' HB2' ' A' ' 20' ' ' ARG . 79.0 mm-40 -66.37 -49.31 67.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.983 177.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -58.32 -42.72 87.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.011 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.538 ' O ' HD12 ' A' ' 100' ' ' LEU . 53.1 t80 -58.93 -47.26 85.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.718 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 93' ' ' PHE . 35.0 mtm180 -69.5 -35.79 75.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.771 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -56.46 -43.94 80.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.567 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -80.54 -29.99 37.12 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.246 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 96' ' ' TYR . 8.0 mp -65.67 -44.22 86.94 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.563 176.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.417 ' HB3' HG23 ' A' ' 70' ' ' VAL . . . -64.39 -35.69 81.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.228 0.537 . . . . 0.0 110.321 176.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -68.1 -26.3 65.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.494 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.66 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.073 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 115.01 5.99 19.3 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.505 -0.855 . . . . 0.0 113.302 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.4 t -77.14 112.08 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.076 0.465 . . . . 0.0 110.363 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -108.73 -30.1 8.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.167 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.75 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 83.3 mtt180 -117.28 102.99 9.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.965 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.8 t90 -87.83 93.02 9.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.166 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.8 t -102.01 102.48 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.2 m -103.33 117.41 34.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.0 0.429 . . . . 0.0 110.312 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -106.12 105.94 16.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.424 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.7 tp -72.08 -27.68 27.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.17 0.509 . . . . 0.0 109.694 -175.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -67.09 -20.53 65.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.103 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 12.2 tp10 -113.16 -9.89 13.45 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.775 -172.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 58.34 27.66 15.65 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.603 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 59.1 mttp -133.9 142.74 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 0.0 111.575 -174.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -103.26 121.04 41.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.48 172.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -104.23 108.93 20.55 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.827 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -89.85 104.71 17.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.237 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.75 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 78.3 m-85 -100.37 143.89 30.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.844 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.3 t -80.29 -179.56 7.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -56.84 -35.62 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.021 0.439 . . . . 0.0 110.96 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -81.97 13.58 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.143 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.2 t30 62.51 24.85 14.8 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.782 0.801 . . . . 0.0 110.652 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.8 m -94.51 131.83 39.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.685 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.5 tp -71.41 120.0 16.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.564 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.5 mt -96.67 -49.64 5.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -139.26 144.38 38.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.813 0.34 . . . . 0.0 110.51 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.1 m -126.31 123.32 37.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.065 177.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -130.14 145.61 51.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.825 0.345 . . . . 0.0 110.354 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.5 p -100.24 126.6 46.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.014 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 22.6 pt -85.39 -1.52 6.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.501 0.667 . . . . 0.0 110.157 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 169.605 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.435 ' OD1' ' HB ' ' A' ' 9' ' ' VAL . 9.6 t70 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.88 -21.9 64.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.436 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.435 ' HB ' ' OD1' ' A' ' 7' ' ' ASP . 58.3 t -64.57 -36.95 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.234 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 68.9 t -60.71 -43.0 94.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.949 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.93 -53.43 46.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.206 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.56 ' HB2' HD21 ' A' ' 61' ' ' LEU . 60.3 m-85 -68.68 -41.87 78.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.557 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -63.53 -33.43 75.57 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 3.9 tp-100 -59.88 -44.67 94.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.159 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.24 -52.25 58.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.932 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -66.15 -37.02 84.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 0.0 111.463 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.57 -39.64 67.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.678 0.275 . . . . 0.0 110.892 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -70.77 -38.33 73.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.3 -23.39 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.115 0.484 . . . . 0.0 110.033 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 20' ' ' ARG . 2.3 tmm_? -70.29 -19.21 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.124 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -96.47 -56.22 2.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.335 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.63 -35.67 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.066 -176.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.3 mt 61.51 27.47 16.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.703 0.763 . . . . 0.0 109.528 -170.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -84.27 83.72 7.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.738 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.521 ' HH ' HD13 ' A' ' 86' ' ' LEU . 75.0 m-85 -68.77 -27.81 66.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.73 -178.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -64.01 -51.82 62.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.422 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -67.65 -39.07 84.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.571 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.433 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 35.3 t80 -50.73 -56.53 11.57 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.469 0.481 . . . . 0.0 111.41 -177.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -73.64 -17.0 61.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.4 m -76.34 -47.81 22.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.919 0.39 . . . . 0.0 110.002 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.73 -40.49 88.37 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.817 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 46.3 mt -56.11 -51.92 66.18 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.32 174.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HG2' ' CG2' ' A' ' 112' ' ' ILE . 9.7 mtmp? -72.78 0.85 9.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -95.9 -21.75 17.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.985 0.421 . . . . 0.0 110.117 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -120.43 -59.36 1.77 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.369 0.604 . . . . 0.0 110.191 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -90.76 91.88 8.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.465 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -89.35 5.43 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.607 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 28.9 t -112.6 -91.93 0.48 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.921 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.431 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 52.0 p-80 -168.11 158.51 10.34 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.767 0.318 . . . . 0.0 111.323 -175.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 47.6 p90 -139.86 149.29 43.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.341 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.458 HG23 HG23 ' A' ' 109' ' ' VAL . 4.5 mp -116.43 114.09 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.744 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.4 OUTLIER -97.59 114.57 26.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.023 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -88.3 107.39 18.79 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.449 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 108' ' ' TRP . 6.8 mp -66.66 145.83 55.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.13 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 68' ' ' VAL . . . 77.63 -39.88 0.31 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.387 0.675 . . . . 0.0 110.793 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 m -77.58 -30.05 52.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 59.61 23.64 12.39 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.548 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.7 m-80 -103.36 110.2 22.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.941 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.5 t -100.47 128.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.695 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -110.04 107.11 16.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.839 0.352 . . . . 0.0 110.29 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.429 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.5 mp -104.29 112.51 38.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.109 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG22 HG21 ' A' ' 58' ' ' THR . 13.9 t -98.18 115.28 37.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 57' ' ' ASN . 77.5 mt -74.15 167.06 22.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.45 . . . . 0.0 110.549 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -67.83 -18.15 64.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.349 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -120.89 59.26 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.785 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.6 t70 79.44 -53.19 0.42 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.902 -1.045 . . . . 0.0 113.178 167.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.526 ' HB3' HD11 ' A' ' 53' ' ' LEU . 45.5 t30 -54.44 131.32 42.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.327 0.584 . . . . 0.0 112.345 -173.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.469 HG21 HG22 ' A' ' 52' ' ' VAL . 28.4 m -122.34 114.61 21.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.812 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 t -100.09 141.72 16.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.237 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' H ' HD21 ' A' ' 60' ' ' LEU . 2.0 pt? -123.84 117.96 26.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.193 0.52 . . . . 0.0 110.594 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.56 HD21 ' HB2' ' A' ' 12' ' ' PHE . 31.1 mt -93.16 101.69 13.99 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' HG2' ' OD1' ' A' ' 48' ' ' ASN . 25.3 mtpp -89.41 100.68 13.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -117.18 -176.49 17.58 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.91 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 66' ' ' ASN . 98.3 mt -145.35 -61.86 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.1 mttp 67.29 -24.45 0.11 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.976 0.91 . . . . 0.0 112.814 176.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.508 ' H ' ' C ' ' A' ' 64' ' ' LEU . 3.3 t-20 64.55 85.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.226 0.61 . . . . 0.0 109.894 -171.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.5 mt -134.37 -76.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.062 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.455 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . 39.9 t 49.47 84.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.748 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.44 ' OG ' ' HG3' ' A' ' 98' ' ' ARG . 5.0 m -105.92 -18.1 14.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.682 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 61.2 t -58.94 128.95 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.641 -173.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -119.69 155.45 32.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.196 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -79.34 79.53 5.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.356 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 m -149.78 175.04 11.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.458 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 52.1 pttt -151.29 96.03 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.364 0.602 . . . . 0.0 111.112 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -131.25 131.5 43.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.029 0.443 . . . . 0.0 111.158 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.478 ' HD3' ' O ' ' A' ' 127' ' ' LEU . 68.1 mtm180 -96.08 -13.96 23.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.135 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -70.34 -50.53 38.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.144 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.51 HD22 ' HB3' ' A' ' 103' ' ' ALA . 58.7 tp -58.56 -33.65 70.17 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.736 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 76' ' ' ARG . 74.1 mt -61.1 -48.26 89.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.252 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.82 -45.52 85.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.397 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 m -55.52 -47.57 76.03 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.025 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.445 HG23 ' HB2' ' A' ' 99' ' ' ASN . 21.6 m -69.31 -33.07 72.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.253 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.2 m -69.43 -36.81 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.97 0.415 . . . . 0.0 110.588 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.42 -33.0 70.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.876 0.846 . . . . 0.0 108.736 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -66.53 -40.51 89.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.26 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.612 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 25.2 tp -69.86 -23.29 63.25 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.752 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -83.79 -45.58 13.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.099 0.476 . . . . 0.0 110.327 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.3 t -77.73 -55.95 4.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.333 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.441 ' C ' ' H ' ' A' ' 91' ' ' ILE . 77.7 mtp180 -92.48 -30.27 15.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.628 0.251 . . . . 0.0 110.792 -176.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.612 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 44.9 mt-10 73.63 -28.9 0.19 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.599 0.759 . . . . 0.0 112.093 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.441 ' H ' ' C ' ' A' ' 89' ' ' ARG . 8.4 pt 34.21 -109.27 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 174.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.2 m -151.88 140.58 20.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -59.4 -30.59 68.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 0.0 111.346 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -58.8 -52.72 64.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.728 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.19 -34.14 75.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.053 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -56.3 -52.6 63.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.112 0.482 . . . . 0.0 110.306 176.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 97' ' ' ARG . 22.5 ttp85 -67.75 -32.09 72.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.727 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.44 ' HG3' ' OG ' ' A' ' 69' ' ' SER . 26.7 ttp180 -66.74 -42.05 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.776 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.445 ' HB2' HG23 ' A' ' 82' ' ' THR . 6.8 m-20 -64.96 -41.59 95.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.11 -40.74 98.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -60.1 -38.11 81.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.037 0.446 . . . . 0.0 110.665 177.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -70.63 -28.93 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.673 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.51 ' HB3' HD22 ' A' ' 78' ' ' LEU . . . -77.18 -12.95 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.326 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.8 -0.88 12.1 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.068 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 82.7 t -75.47 105.06 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.161 0.505 . . . . 0.0 110.288 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -105.5 -30.61 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.724 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.592 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 41.4 mtp180 -120.27 104.09 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.273 0.559 . . . . 0.0 110.793 -175.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.744 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 4.6 t-105 -87.43 96.14 10.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.543 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.458 HG23 HG23 ' A' ' 41' ' ' ILE . 48.7 t -106.31 103.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.0 0.429 . . . . 0.0 110.85 -178.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.483 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 70.1 m -101.64 111.81 24.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.431 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 58.3 t30 -95.22 102.09 13.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.319 0.581 . . . . 0.0 109.449 178.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.47 ' CG2' ' HG2' ' A' ' 33' ' ' LYS . 43.2 mm -61.31 -40.67 86.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.28 -173.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -66.04 -24.41 66.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.413 ' HG3' ' ND2' ' A' ' 111' ' ' ASN . 49.8 mt-10 -103.07 -2.72 27.01 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.524 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 55.66 39.82 30.9 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.536 0.523 . . . . 0.0 110.948 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -136.35 137.84 41.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.92 0.391 . . . . 0.0 111.682 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -100.65 121.37 41.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.248 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -106.44 113.02 26.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.775 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -96.89 108.06 20.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.717 0.294 . . . . 0.0 110.579 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.592 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 93.9 m-85 -100.54 142.93 31.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.498 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.676 ' HB ' HD13 ' A' ' 127' ' ' LEU . 10.1 t -84.71 -179.11 7.05 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.763 175.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -60.11 -31.24 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.444 ' CG ' ' HG ' ' A' ' 125' ' ' SER . 1.0 OUTLIER -92.02 8.55 37.14 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.074 -176.145 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 80.49 12.39 0.93 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.553 0.741 . . . . 0.0 111.793 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.444 ' HG ' ' CG ' ' A' ' 123' ' ' ASP . 57.0 m -75.41 132.12 40.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.779 -0.575 . . . . 0.0 109.857 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.4 tp -75.6 115.64 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.676 HD13 ' HB ' ' A' ' 121' ' ' THR . 93.7 mt -91.5 -77.15 0.43 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.023 0.44 . . . . 0.0 110.643 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -111.01 142.77 42.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -174.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.7 m -144.61 126.67 15.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.043 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.81 174.57 10.47 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.391 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 m -118.07 116.95 27.91 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.44 0.462 . . . . 0.0 110.261 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.9 pt -67.4 115.62 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.34 0.591 . . . . 0.0 110.212 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.813 -173.493 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.493 ' HA ' HD11 ' A' ' 11' ' ' ILE . 5.5 tp-100 -55.65 -24.37 33.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.298 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.6 t -57.14 -39.29 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.83 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.38 -40.02 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.752 0.31 . . . . 0.0 110.801 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' A' ' 8' ' ' GLN . 3.1 mp -62.62 -57.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.67 -178.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.558 ' HB3' HD12 ' A' ' 61' ' ' LEU . 57.7 m-85 -66.93 -41.35 87.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.614 -176.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.89 -38.77 86.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.629 0.252 . . . . 0.0 110.526 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -59.29 -41.15 88.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.071 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.796 HG22 ' HD1' ' A' ' 28' ' ' PHE . 35.1 mt -64.07 -48.73 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.645 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.484 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 35.0 m-85 -65.52 -47.64 75.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.956 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.682 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -65.82 -30.46 71.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.602 0.239 . . . . 0.0 111.191 -179.064 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.51 -55.44 20.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.2 p -65.33 -27.23 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.685 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.682 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 20.9 mtp180 -54.47 -44.4 72.55 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -104.01 -35.25 8.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.771 0.32 . . . . 0.0 111.437 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 12.5 t70 -79.29 -30.69 43.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.145 -172.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 80.5 mt 68.25 36.76 3.02 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.703 0.763 . . . . 0.0 109.383 -169.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.14 57.68 2.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.532 -177.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -63.47 -35.31 80.02 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -174.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -60.43 -52.03 66.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.275 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.408 ' CH2' HG12 ' A' ' 15' ' ' ILE . 24.7 t90 -72.09 -38.23 69.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.359 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.796 ' HD1' HG22 ' A' ' 15' ' ' ILE . 54.6 t80 -58.59 -52.54 65.22 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.92 -23.97 66.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.666 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 m -79.43 -48.2 14.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.076 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -67.64 -33.73 75.55 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.344 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.449 HD13 ' CZ ' ' A' ' 28' ' ' PHE . 52.7 mt -62.51 -47.71 82.75 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.577 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 3.9 ttmp? -69.35 -12.89 62.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.204 0.526 . . . . 0.0 110.762 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -46.81 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.213 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -105.91 -44.16 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.476 -171.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -81.21 79.96 7.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.384 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -75.13 -17.75 16.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.284 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 m -108.47 -85.93 0.52 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -170.87 151.31 3.35 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 122.298 -0.251 . . . . 0.0 110.924 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.54 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 37.1 p90 -125.2 146.84 49.33 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.739 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.6 mp -110.51 116.61 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.208 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.895 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 19.2 t80 -103.39 112.4 25.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.87 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.441 ' CD1' ' HD2' ' A' ' 107' ' ' ARG . 97.4 m-85 -84.17 115.36 22.38 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.17 156.07 39.32 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.298 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.602 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 73.33 -53.18 0.7 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.559 0.744 . . . . 0.0 111.297 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 m -76.89 -21.71 54.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.442 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 56.12 30.16 15.9 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.969 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -93.43 117.78 30.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.969 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.658 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 4.1 t -110.94 124.41 67.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.615 0.245 . . . . 0.0 110.767 -175.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.442 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 22.8 m170 -112.59 97.67 6.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.844 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.547 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.3 mp -85.69 101.7 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.4 t -86.01 112.71 22.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.785 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -72.62 -172.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.037 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -76.7 65.22 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.084 0.469 . . . . 0.0 110.834 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.1 t30 82.24 9.26 0.8 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.702 165.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -92.63 -71.58 0.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.648 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -146.53 174.9 10.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.823 0.344 . . . . 0.0 110.206 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.1 m -114.76 129.35 56.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.298 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.547 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 54.5 t -87.52 121.82 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 176.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' HG ' ' CD2' ' A' ' 50' ' ' HIS . 3.1 tt -104.35 115.27 30.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.032 -174.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.658 ' HB2' ' HB ' ' A' ' 49' ' ' VAL . 46.7 mt -105.36 164.84 11.55 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.11 0.481 . . . . 0.0 110.685 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -143.69 123.2 13.19 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.765 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.32 -104.93 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.199 171.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.1 tp -119.28 -11.11 9.6 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 172.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 18.9 ptmt 49.91 29.9 3.64 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.65 1.18 . . . . 0.0 111.781 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.73 -14.2 4.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.572 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.602 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 56.3 mt -80.76 78.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.665 0.745 . . . . 0.0 110.468 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.32 87.16 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.12 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.0 m -110.1 7.66 23.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.575 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 95.4 t -73.28 127.52 35.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.336 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -113.92 145.81 40.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.256 -174.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -69.63 89.36 0.53 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.261 0.553 . . . . 0.0 110.295 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.528 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 28.1 t -153.89 162.29 41.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.517 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -135.09 66.02 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -103.68 102.74 12.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.405 0.621 . . . . 0.0 111.031 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -73.9 -23.57 59.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.082 177.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -75.45 -40.83 57.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.845 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.25 -37.38 85.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.413 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.45 -48.3 85.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -56.32 -47.38 78.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.889 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.2 m -63.37 -37.41 87.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.421 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.8 m -63.54 -44.28 94.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.699 0.285 . . . . 0.0 110.41 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -59.98 -36.76 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.356 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -68.82 -31.05 69.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.362 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -68.93 -41.05 78.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.902 0.382 . . . . 0.0 110.451 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 tp -72.95 -30.79 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 109.885 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -71.95 -42.78 66.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.168 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.5 m -84.63 -51.47 6.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.094 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.61 ' O ' ' HB3' ' A' ' 90' ' ' GLU . 16.0 tpp180 -100.32 -79.11 0.5 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.929 -172.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.61 ' HB3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER 161.86 -38.05 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.589 0.756 . . . . 0.0 110.061 174.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.8 pt 40.01 -131.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.805 0.842 . . . . 0.0 112.032 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.452 ' HB ' ' OE1' ' A' ' 95' ' ' GLU . 39.9 m -149.49 148.19 29.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.443 ' HB2' HD22 ' A' ' 23' ' ' LEU . 17.0 t80 -63.35 -30.8 71.87 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 -174.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 98' ' ' ARG . 27.7 tt0 -57.68 -51.9 67.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.07 173.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.452 ' OE1' ' HB ' ' A' ' 92' ' ' THR . 4.2 mp0 -67.35 -28.78 68.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.491 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -59.62 -52.31 66.08 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.522 ' HA ' HD11 ' A' ' 100' ' ' LEU . 85.3 mtt180 -72.38 -28.33 62.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.074 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 94' ' ' GLN . 36.8 ttt180 -61.39 -48.62 80.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.321 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -72.37 -29.34 63.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.969 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.522 HD11 ' HA ' ' A' ' 97' ' ' ARG . 57.8 mt -63.05 -41.24 99.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.524 174.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 70' ' ' VAL . . . -62.64 -35.78 80.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.313 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -69.99 -26.65 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.822 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.21 -20.96 47.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.528 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 111.67 10.25 19.52 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.609 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.4 t -76.57 115.41 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.124 0.487 . . . . 0.0 109.909 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -107.55 -26.48 10.88 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.297 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.441 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -118.82 112.78 20.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.09 0.471 . . . . 0.0 111.439 -178.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.895 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 10.2 t-105 -94.77 98.24 10.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.737 173.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.3 t -111.5 104.14 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.064 0.459 . . . . 0.0 110.721 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.602 HG23 ' HG2' ' A' ' 117' ' ' ARG . 55.9 m -99.07 104.1 16.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.156 0.503 . . . . 0.0 110.676 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -90.39 94.04 9.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.3 tp -77.07 -17.05 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.883 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.73 -28.59 69.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.581 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -107.19 -5.93 17.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.602 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 59.52 47.97 10.26 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.504 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -139.45 133.4 30.92 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.783 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.602 ' HG2' HG23 ' A' ' 110' ' ' THR . 42.0 mtm180 -100.74 117.87 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.267 176.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -100.57 135.6 41.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -177.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.433 ' HE1' ' CZ3' ' A' ' 108' ' ' TRP . 90.4 m-85 -117.0 116.68 27.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.602 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -116.36 137.55 52.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.355 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.857 ' HB ' HD11 ' A' ' 127' ' ' LEU . 12.6 t -80.47 -178.62 6.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 171.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -59.95 -29.38 68.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.991 0.36 . . . . 0.0 111.4 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.78 -16.63 61.68 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.9 t30 71.53 17.82 5.57 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.906 0.86 . . . . 0.0 109.654 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.3 t -82.93 137.89 34.04 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.406 174.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.53 112.88 4.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.384 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.857 HD11 ' HB ' ' A' ' 121' ' ' THR . 96.4 mt -90.58 -54.5 3.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.006 177.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -141.75 159.64 41.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.561 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.9 m -146.26 112.81 5.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.359 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -92.41 108.3 19.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.7 m -84.38 111.16 19.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.794 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.8 pt -92.89 120.39 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.469 0.652 . . . . 0.0 111.402 -174.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.682 HE21 ' HA ' ' A' ' 133' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.401 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 120.582 0.23 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.69 -31.1 72.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.637 -175.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.55 -34.88 59.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.838 0.351 . . . . 0.0 110.401 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.99 -41.78 92.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.019 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.4 mp -64.07 -53.74 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.632 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.541 ' HB3' HD13 ' A' ' 61' ' ' LEU . 70.7 m-85 -65.45 -43.34 90.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.551 -176.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' HD11 ' A' ' 61' ' ' LEU . 57.8 tttp -60.68 -42.21 96.67 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.49 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.13 -40.09 84.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.467 HG22 ' HD1' ' A' ' 28' ' ' PHE . 64.8 mt -63.11 -54.63 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.843 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 63.4 m-85 -65.15 -37.23 86.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.196 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -69.7 -22.3 63.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.558 -178.029 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -86.65 -41.91 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 111.294 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.23 -20.51 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 16' ' ' PHE . 62.7 mtt180 -65.07 -32.24 73.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.497 176.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -105.9 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.57 -28.33 45.89 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.086 -172.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' CD2' ' HB2' ' A' ' 93' ' ' PHE . 71.9 mt 63.98 31.73 13.51 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.177 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -86.55 83.54 7.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.531 0.682 . . . . 0.0 110.944 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 83.6 m-85 -74.66 -23.52 58.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.82 -178.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -59.94 4.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -68.53 -35.56 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.304 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 61.0 t80 -56.9 -56.89 15.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.727 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -72.37 -22.41 61.15 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.4 m -64.18 -51.21 64.89 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.694 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.97 -30.54 69.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.155 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 73.2 mt -60.59 -56.31 22.86 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.324 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.76 -19.22 64.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.062 0.458 . . . . 0.0 111.509 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -97.1 -4.66 38.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -131.57 -60.89 0.92 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.196 0.522 . . . . 0.0 110.813 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -93.97 94.13 8.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.552 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 t -88.83 5.34 4.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.706 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 m -110.61 -88.39 0.51 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.144 -0.348 . . . . 0.0 111.883 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -170.1 160.43 8.08 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.583 0.23 . . . . 0.0 111.039 -175.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.489 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 50.0 p90 -136.66 146.38 45.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 174.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.21 113.75 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.185 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.744 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 4.0 t80 -96.45 115.55 27.62 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.672 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -90.61 119.16 30.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.248 0.547 . . . . 0.0 110.758 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 97' ' ' ARG . 96.0 mt -88.28 103.18 15.55 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.767 -175.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 44' ' ' LEU . . . 151.47 -69.45 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 125.223 1.577 . . . . 0.0 108.497 -176.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.2 p -83.18 -13.49 55.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 62.37 30.32 17.37 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.1 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -86.31 109.29 18.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.186 178.517 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.39 115.21 33.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.93 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -99.56 98.4 9.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mp -90.31 110.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.292 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -91.78 101.63 12.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.49 164.49 21.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.885 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -67.74 -18.93 65.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.343 0.592 . . . . 0.0 110.521 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 24.4 t-20 -82.7 5.84 19.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.707 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 35.0 t70 77.42 -15.21 0.77 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.894 0.878 . . . . 0.0 111.257 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -65.36 106.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.369 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 m -87.88 116.47 26.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 t -100.18 111.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.471 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.715 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.1 pt? -96.58 121.89 38.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.24 0.543 . . . . 0.0 110.555 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 12' ' ' PHE . 28.7 mt -103.89 105.42 15.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.484 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -77.24 95.48 4.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 171.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.23 -72.13 0.61 Allowed Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.247 -0.888 . . . . 0.0 113.413 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -110.55 -79.67 0.58 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -174.22 -72.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.241 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -157.97 105.91 1.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.309 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.4 mm -119.29 90.77 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.7 p -83.37 90.94 2.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.048 0.928 . . . . 0.0 111.721 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.5 p -111.61 8.3 20.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.328 172.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.452 HG22 ' HB1' ' A' ' 101' ' ' ALA . 19.6 t -84.77 135.5 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.447 -176.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -115.85 158.46 22.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.193 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -77.2 81.9 3.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.339 0.59 . . . . 0.0 110.131 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.51 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 57.6 m -155.7 166.26 34.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.703 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.51 ' HB2' HD23 ' A' ' 127' ' ' LEU . 50.5 pttt -146.13 87.1 1.73 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.577 0.703 . . . . 0.0 109.666 173.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -118.86 118.72 32.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.884 -174.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -78.73 -27.56 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.532 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -66.74 -38.56 86.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.702 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.4 tp -64.29 -43.35 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.23 -51.08 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.218 0.532 . . . . 0.0 109.722 175.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -53.54 -44.04 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.745 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -69.87 -36.86 75.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.848 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.9 m -67.65 -38.73 84.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.9 m -59.62 -45.61 91.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.003 0.43 . . . . 0.0 110.44 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -70.79 -29.09 65.18 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.417 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -63.87 -42.47 97.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.174 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.9 tp -68.49 -36.28 78.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.959 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.51 -52.81 62.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.415 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.5 m -82.97 -55.25 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -95.08 -22.89 17.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -171.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 73.72 -40.93 0.47 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.272 0.629 . . . . 0.0 112.273 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.8 pt 43.44 -148.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.498 0.719 . . . . 0.0 111.419 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.469 ' HB ' ' OE2' ' A' ' 95' ' ' GLU . 50.9 m -119.8 150.31 40.63 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 171.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.51 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 9.9 t80 -57.87 -22.93 50.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.761 0.315 . . . . 0.0 111.172 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.401 ' HB2' ' OE2' ' A' ' 95' ' ' GLU . 12.5 mm-40 -62.52 -55.64 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.469 ' OE2' ' HB ' ' A' ' 92' ' ' THR . 2.4 mp0 -63.33 -36.85 85.08 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.701 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -56.35 -47.92 77.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.798 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.602 ' HB3' HD22 ' A' ' 44' ' ' LEU . 55.0 mtm-85 -75.29 -22.07 58.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.926 0.393 . . . . 0.0 110.891 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.632 ' HA ' ' HE ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -80.12 -34.99 37.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.991 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -37.04 84.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 110.202 175.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.93 -38.61 89.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.481 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.452 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -63.74 -30.63 71.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.959 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.25 -30.44 67.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.086 0.469 . . . . 0.0 110.605 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.32 57.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.611 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 95.77 7.79 58.61 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.728 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.72 115.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.034 0.445 . . . . 0.0 110.024 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -115.03 -24.45 8.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.549 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 41.7 ttm180 -121.64 103.51 8.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.241 0.543 . . . . 0.0 110.877 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.744 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.5 t90 -96.51 106.67 18.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.273 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 107' ' ' ARG . 48.4 t -110.04 104.87 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.781 0.324 . . . . 0.0 111.104 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.489 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 41.5 m -92.48 114.9 27.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 174.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -94.14 107.61 19.53 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.5 mm -64.95 -47.88 86.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -72.93 -27.61 61.95 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.332 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -91.35 -10.56 40.78 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.494 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 64.45 35.49 9.49 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.82 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.59 154.62 47.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.98 0.419 . . . . 0.0 111.766 -176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.484 ' HB2' ' HG2' ' A' ' 130' ' ' GLU . 86.2 mtt180 -113.59 114.87 27.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.369 170.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.437 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 75.6 m-85 -97.73 113.58 25.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.529 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -97.61 105.25 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.342 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.605 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 92.3 m-85 -103.14 141.0 36.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.979 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.479 ' HB ' HD12 ' A' ' 127' ' ' LEU . 9.7 t -80.16 171.05 15.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.481 175.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -66.55 -10.33 44.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.843 0.354 . . . . 0.0 111.417 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -95.76 13.22 27.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.099 0.476 . . . . 0.0 110.64 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 73.2 4.74 4.97 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.139 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.6 t -88.23 146.11 25.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.846 0.355 . . . . 0.0 110.577 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 62.6 tp -85.84 124.83 32.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.132 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 74' ' ' LYS . 84.6 mt -103.73 -47.13 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.465 -178.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -140.72 149.69 42.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.495 -174.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 54.6 m -147.54 120.0 8.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.218 176.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.484 ' HG2' ' HB2' ' A' ' 117' ' ' ARG . 14.3 pt-20 -115.27 174.3 6.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.016 178.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.4 m -127.61 129.21 46.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.293 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.5 pt -94.96 30.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -172.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 121.258 0.551 . . . . 0.0 110.75 177.547 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 N--CA 1.461 0.109 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.528 ' HA ' HD13 ' A' ' 11' ' ' ILE . 7.0 tp60 -56.02 -29.29 60.16 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.659 0.384 . . . . 0.0 111.71 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.2 t -56.49 -36.84 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 121.141 0.496 . . . . 0.0 110.655 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.559 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 57.4 t -66.42 -47.21 84.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.528 HD13 ' HA ' ' A' ' 8' ' ' GLN . 3.2 mp -57.29 -51.55 68.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.591 ' HB3' HD12 ' A' ' 61' ' ' LEU . 25.6 m-85 -63.58 -38.96 93.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.383 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 1.3 ttmm -60.01 -46.06 90.72 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.353 176.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 10' ' ' VAL . 80.1 mm-40 -57.71 -35.73 71.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.058 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.587 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 78.7 mt -61.46 -57.31 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.724 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -68.4 -35.66 78.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.345 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HA ' ' CD ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -74.66 -15.44 60.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.191 -175.639 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -87.01 -50.01 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 0.0 110.121 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.68 ' HB ' ' HE1' ' A' ' 27' ' ' TRP . 12.4 p -71.89 -24.13 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -173.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' A' ' 17' ' ' ASP . 13.3 ptm180 -58.48 -25.02 61.87 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.46 -45.83 3.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.651 0.262 . . . . 0.0 111.62 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -76.84 -22.61 53.31 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -172.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt 62.57 17.3 9.53 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.289 0.368 . . . . 0.0 111.908 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.487 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 13.5 p-10 -80.27 75.67 7.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.365 0.602 . . . . 0.0 110.224 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -59.24 -29.47 67.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.746 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -32.15 65.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.68 ' HE1' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -79.02 -41.31 29.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.44 0.638 . . . . 0.0 109.936 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.453 ' CE2' HD13 ' A' ' 32' ' ' LEU . 46.7 t80 -77.98 -40.23 39.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.221 -167.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 32' ' ' LEU . 56.4 m-85 -69.01 -21.92 64.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.022 0.439 . . . . 0.0 110.471 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.8 m -71.91 -47.43 52.65 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 171.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.45 -42.61 74.49 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD13 ' CE2' ' A' ' 28' ' ' PHE . 93.4 mt -57.56 -57.48 12.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.216 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.41 -29.9 70.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.031 0.444 . . . . 0.0 110.844 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 34' ' ' ARG . 15.5 mmm-85 -71.91 -47.58 51.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.932 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -108.46 -53.69 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.067 0.461 . . . . 0.0 111.121 -168.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -89.33 79.56 7.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.402 0.62 . . . . 0.0 110.402 -177.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.41 -19.13 19.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.426 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.552 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 17.6 t -103.2 -86.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.514 -175.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -171.21 153.03 3.54 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.488 0.185 . . . . 0.0 110.76 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.52 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 43.1 p90 -124.08 144.66 49.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.378 . . . . 0.0 110.576 176.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.0 mt -115.73 109.06 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.071 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.766 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.6 OUTLIER -99.24 109.98 22.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.129 -176.391 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -88.72 113.17 23.99 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.82 -35.33 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.594 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . -67.34 -38.94 85.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.8 p -100.08 -6.76 25.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.527 ' OE2' HG13 ' A' ' 67' ' ' ILE . 46.8 mt-10 59.45 20.58 8.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.16 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 95.8 m-20 -86.03 116.37 24.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.2 0.524 . . . . 0.0 110.647 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.0 t -99.66 106.98 19.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.836 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -91.57 93.21 8.84 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.544 -0.098 . . . . 0.0 110.988 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.49 102.56 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.552 ' O ' ' HB3' ' A' ' 38' ' ' SER . 14.0 t -87.98 114.05 26.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.7 mt -79.8 168.68 18.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.53 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -81.4 -3.86 54.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.729 0.776 . . . . 0.0 109.422 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -101.81 25.96 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.509 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 t70 76.46 -32.4 0.2 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.342 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.48 126.68 28.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.909 0.385 . . . . 0.0 111.764 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.5 m -103.88 113.12 26.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.57 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.7 t -90.35 103.25 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -99.63 122.5 42.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.575 0.703 . . . . 0.0 110.79 -178.166 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 12' ' ' PHE . 8.8 mt -110.13 -175.23 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.866 -176.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 66.0 mttm -130.55 134.57 47.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.288 167.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.69 -68.99 1.41 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.776 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.409 HD23 HH12 ' A' ' 20' ' ' ARG . 1.1 tm? -143.19 -41.97 0.3 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -147.88 -90.63 0.08 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.967 -176.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 175.55 110.1 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.76 0.824 . . . . 0.0 109.567 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 70.3 mt -89.87 87.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.306 0.574 . . . . 0.0 111.071 -177.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 t -86.55 24.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.993 0.902 . . . . 0.0 109.675 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 67' ' ' ILE . 47.3 m -98.61 11.92 36.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.242 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 HG23 ' HB3' ' A' ' 101' ' ' ALA . 80.3 t -66.27 134.5 29.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.183 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 75.3 mmtt -85.87 134.71 33.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.092 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -80.2 80.76 6.58 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.5 m -138.43 171.62 14.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.168 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.486 ' HG2' HG22 ' A' ' 121' ' ' THR . 96.3 mttt -141.9 78.38 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -134.83 131.73 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.514 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.455 ' CG ' ' HD1' ' A' ' 128' ' ' PHE . 33.0 ttp180 -92.84 -18.16 23.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.342 178.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -65.18 -42.22 93.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.014 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 103' ' ' ALA . 26.3 tp -65.6 -37.98 88.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.882 0.372 . . . . 0.0 110.339 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.96 -49.61 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.306 0.574 . . . . 0.0 109.682 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -54.95 -47.47 74.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.023 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.4 m -65.46 -39.19 91.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.969 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.5 m -70.27 -36.2 74.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.975 0.417 . . . . 0.0 110.451 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.0 t -66.21 -40.4 90.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.737 175.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.31 -46.56 88.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.012 175.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -62.65 -40.06 95.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.33 -35.24 79.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -72.34 -39.88 67.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.815 0.341 . . . . 0.0 111.461 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.2 m -89.55 -32.11 17.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -175.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -100.42 -33.14 10.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 59.81 74.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.88 0.848 . . . . 0.0 109.014 -168.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 37.3 pt -87.63 166.8 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.008 -176.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -64.61 139.66 58.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.16 176.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.482 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 30.7 t80 -55.89 -30.61 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.06 0.457 . . . . 0.0 111.05 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -63.33 -41.55 98.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.297 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -40.09 70.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.443 0.64 . . . . 0.0 109.686 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -55.69 -44.46 77.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.391 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.525 ' HA ' HD11 ' A' ' 100' ' ' LEU . 25.1 mtp85 -73.57 -28.04 61.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.678 -177.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 71.8 mtt-85 -59.43 -47.99 83.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.982 0.42 . . . . 0.0 110.728 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.555 ' HA ' ' HD2' ' A' ' 102' ' ' LYS . 48.6 m-80 -74.47 -24.65 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.956 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 97' ' ' ARG . 71.0 mt -63.0 -43.93 97.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.888 0.375 . . . . 0.0 110.201 171.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.471 ' HB3' HG23 ' A' ' 70' ' ' VAL . . . -63.7 -30.43 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.67 176.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 99' ' ' ASN . 95.3 mttt -71.05 -29.37 65.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.753 177.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 78' ' ' LEU . . . -82.07 -10.25 59.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.474 ' O ' ' HA ' ' A' ' 121' ' ' THR . . . 103.11 9.42 39.38 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.779 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.1 t -72.73 99.79 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.312 0.577 . . . . 0.0 110.148 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -97.32 -31.13 12.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.889 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.664 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 42.4 ttm180 -124.01 104.92 9.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.219 0.533 . . . . 0.0 111.132 -173.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.766 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 3.6 t-105 -92.85 109.39 20.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.341 177.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.4 t -111.64 128.32 68.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.687 0.28 . . . . 0.0 110.58 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.52 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 57.7 m -127.34 112.1 14.64 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.961 0.41 . . . . 0.0 110.494 175.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -95.16 111.35 23.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.352 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.6 mm -65.28 -56.57 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.132 -172.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -79.47 9.24 5.04 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.235 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -109.52 -20.53 12.84 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 64.11 39.61 7.57 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.288 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -131.95 148.42 52.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.972 0.415 . . . . 0.0 111.737 -176.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.435 ' NH2' ' HG2' ' A' ' 130' ' ' GLU . 15.7 mtm180 -121.28 112.43 18.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -101.66 126.15 48.45 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.942 0.401 . . . . 0.0 110.406 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -104.72 103.45 13.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.145 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.664 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 94.8 m-85 -104.21 143.55 32.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.066 0.46 . . . . 0.0 110.988 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.486 HG22 ' HG2' ' A' ' 74' ' ' LYS . 10.1 t -82.3 -178.71 7.15 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 172.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -61.3 -21.3 63.82 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.124 0.488 . . . . 0.0 111.383 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -97.44 21.2 10.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.273 0.558 . . . . 0.0 110.323 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.439 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 2.3 p-10 49.4 25.17 1.23 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.413 1.085 . . . . 0.0 112.236 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.472 ' HB2' HG21 ' A' ' 121' ' ' THR . 5.1 m -77.66 125.28 29.09 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -70.67 110.77 5.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.274 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.467 HD13 ' HB ' ' A' ' 121' ' ' THR . 89.6 mt -91.01 -56.44 3.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.764 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.455 ' HD1' ' CG ' ' A' ' 76' ' ' ARG . 24.2 t80 -124.96 145.38 49.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -176.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.7 m -131.54 107.52 8.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.957 0.408 . . . . 0.0 110.341 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.435 ' HG2' ' NH2' ' A' ' 117' ' ' ARG . 7.5 tp10 -112.4 153.8 26.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.881 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.6 t -122.37 127.97 50.4 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' A' ' 133' ' ' GLN . 13.8 pt -86.85 50.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.796 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.432 ' HB3' ' O ' ' A' ' 132' ' ' ILE . 6.6 tp-100 . . . . . 0 N--CA 1.465 0.305 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.233 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 N--CA 1.462 0.164 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -56.58 -37.67 70.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 110.797 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.39 -33.92 52.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.967 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.8 t -68.32 -38.84 80.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.13 -50.18 81.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.044 0.45 . . . . 0.0 110.519 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' HB2' HD21 ' A' ' 61' ' ' LEU . 76.8 m-85 -68.09 -43.24 78.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.336 -178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -62.82 -32.88 74.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.523 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -59.75 -42.98 94.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.304 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.34 -52.25 60.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.246 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.466 ' HA ' HG13 ' A' ' 19' ' ' VAL . 81.8 m-85 -66.72 -29.53 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.568 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.85 -41.75 78.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.887 0.375 . . . . 0.0 110.267 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.73 -47.57 74.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.466 HG13 ' HA ' ' A' ' 16' ' ' PHE . 11.1 p -65.89 -27.12 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.773 0.32 . . . . 0.0 111.043 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.479 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 14.0 ttp180 -61.29 -35.87 78.5 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.064 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -103.66 -43.28 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.688 -174.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.78 -26.24 21.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -170.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 92' ' ' THR . 96.0 mt 62.44 31.83 16.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.017 0.437 . . . . 0.0 111.134 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -73.62 100.1 3.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.52 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -70.79 -37.68 73.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.677 0.275 . . . . 0.0 111.121 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -58.99 -56.92 16.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.14 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.2 t90 -70.36 -40.48 74.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.223 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.4 t80 -56.7 -57.87 10.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.572 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -69.44 -28.89 66.51 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.685 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -68.05 -44.07 77.25 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.622 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -68.67 -33.92 74.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.783 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 77.1 mt -59.75 -52.22 66.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 174.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.12 -26.1 68.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.146 0.498 . . . . 0.0 110.835 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -80.31 -21.29 42.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.948 -176.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -130.09 -56.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 111.097 -174.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.425 ' ND2' ' HD1' ' A' ' 40' ' ' TYR . 38.0 t30 -87.38 89.56 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.739 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.473 ' O ' ' HB2' ' A' ' 113' ' ' HIS . 48.4 t -78.78 -29.34 14.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.271 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 35.4 m -94.06 -82.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -175.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -169.98 146.53 3.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.669 0.271 . . . . 0.0 111.258 -174.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.503 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 48.2 p90 -116.12 137.78 51.83 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.481 HG21 HG22 ' A' ' 109' ' ' VAL . 48.5 mt -112.0 106.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.372 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.729 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -96.68 107.54 20.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.739 -177.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.22 107.8 18.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.92 159.97 29.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.501 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.671 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 75.39 -49.65 0.63 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.446 0.698 . . . . 0.0 111.193 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 m -84.76 -23.66 29.14 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 61.06 37.73 17.69 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.87 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -99.18 108.11 20.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.718 173.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -98.95 111.4 28.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.441 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -100.85 99.5 10.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.628 0.251 . . . . 0.0 110.452 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -89.17 110.16 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.034 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.462 ' O ' ' HB2' ' A' ' 38' ' ' SER . 43.8 t -91.25 109.37 21.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.24 -174.23 0.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.104 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -52.68 -65.09 0.62 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 -177.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -151.54 18.97 0.72 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.894 0.854 . . . . 0.0 108.789 175.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.96 -84.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.851 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -156.57 168.29 27.85 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.0 m -96.16 123.8 39.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.267 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -99.4 116.26 42.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.668 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.9 pt? -103.25 114.21 28.31 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.398 0.618 . . . . 0.0 111.229 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 12' ' ' PHE . 23.9 mt -85.61 88.97 7.6 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 172.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -80.86 100.02 8.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.558 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.58 137.46 7.54 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.553 176.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.2 tp -118.39 -58.04 2.02 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -167.72 -70.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.685 176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.457 ' CG ' ' H ' ' A' ' 67' ' ' ILE . 15.5 t-20 -153.41 -138.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.671 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 80.0 mt 72.99 104.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 C-N-CA 123.231 0.613 . . . . 0.0 110.229 -175.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.4 ' O ' HG11 ' A' ' 68' ' ' VAL . 5.8 p -156.91 97.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.695 0.759 . . . . 0.0 110.981 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -158.8 30.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.669 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.427 HG23 ' HB1' ' A' ' 45' ' ' ALA . 75.7 t -64.6 121.77 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.842 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HD2' ' O ' ' A' ' 102' ' ' LYS . 62.1 mttm -78.41 160.32 27.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.497 -176.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -85.65 2.01 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.594 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.0 m -89.95 161.1 16.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.669 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' HZ1' ' CG ' ' A' ' 123' ' ' ASP . 0.0 OUTLIER -137.83 110.63 7.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.01 0.434 . . . . 0.0 110.366 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -127.98 136.75 51.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.641 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -98.58 -23.57 15.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.61 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -68.42 -34.59 76.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.697 0.284 . . . . 0.0 110.992 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.8 tp -69.2 -34.77 75.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.99 -48.26 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -55.82 -54.24 46.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.437 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 p -63.9 -34.81 78.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.805 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.441 HG21 ' CD1' ' A' ' 96' ' ' TYR . 47.1 m -70.28 -39.27 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 110.618 177.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -59.81 -51.72 68.54 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.285 174.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -63.61 -33.15 74.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.497 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -60.74 -48.89 79.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.112 177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.64 -44.61 89.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.481 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.62 -35.31 72.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.548 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 m -92.35 -48.8 6.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -98.44 -17.73 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -170.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 58.85 71.41 0.59 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.425 0.631 . . . . 0.0 109.968 -171.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 36.7 pt -89.01 160.57 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.898 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.521 ' HB ' ' HG2' ' A' ' 95' ' ' GLU . 4.1 m -60.4 142.8 54.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.721 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.479 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 41.3 t80 -60.81 -27.64 68.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.945 0.403 . . . . 0.0 110.904 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -69.01 -39.31 79.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.521 ' HG2' ' HB ' ' A' ' 92' ' ' THR . 12.9 mm-40 -70.98 -36.47 72.53 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.122 0.487 . . . . 0.0 110.168 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.441 ' CD1' HG21 ' A' ' 82' ' ' THR . 69.3 t80 -60.27 -52.0 67.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.409 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 97' ' ' ARG . 34.5 mtm180 -72.14 -26.2 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.632 -178.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.572 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 13.8 ttm-85 -58.14 -56.38 22.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 178.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -66.41 -34.22 77.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.377 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.483 ' HG ' ' HB ' ' A' ' 105' ' ' VAL . 16.3 tp -64.76 -38.65 91.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.403 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.94 72.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.65 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 72.8 mmtt -68.42 -24.85 64.79 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.105 0.479 . . . . 0.0 110.006 176.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.07 -16.44 56.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.047 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.51 7.35 39.88 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.594 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.483 ' HB ' ' HG ' ' A' ' 100' ' ' LEU . 61.3 t -76.95 107.92 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.235 0.54 . . . . 0.0 110.617 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -104.69 -29.65 10.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.524 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.903 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 37.7 ttt180 -118.52 105.43 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.753 -174.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.729 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.8 t90 -92.57 105.43 17.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.568 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.481 HG22 HG21 ' A' ' 41' ' ' ILE . 61.0 t -112.38 114.64 47.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 122.167 -0.333 . . . . 0.0 110.491 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 117' ' ' ARG . 95.2 m -117.93 111.2 18.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.117 0.484 . . . . 0.0 111.149 178.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.499 ' HB3' ' HG2' ' A' ' 114' ' ' GLU . 7.7 m120 -88.12 103.81 16.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.695 175.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.427 HD13 HD11 ' A' ' 32' ' ' LEU . 48.3 mm -65.19 -38.46 82.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.295 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 57.1 t-80 -63.56 -29.21 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.906 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.499 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 38.1 mm-40 -95.69 -14.95 23.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.026 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 62.95 37.73 11.69 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.565 0.54 . . . . 0.0 110.691 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 58.4 mtpt -138.42 136.67 36.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.504 -175.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.505 ' HG2' HG23 ' A' ' 110' ' ' THR . 20.4 mtm180 -105.18 126.66 52.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.798 174.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -108.31 126.28 52.65 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.075 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -104.89 109.08 20.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.434 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.903 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 82.7 m-85 -102.97 139.38 38.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.752 ' HB ' HD12 ' A' ' 127' ' ' LEU . 5.0 t -80.37 174.37 11.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.69 174.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -63.85 -17.56 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.501 0.667 . . . . 0.0 110.553 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.415 ' CG ' ' HZ1' ' A' ' 74' ' ' LYS . 3.6 m-20 -72.02 -8.88 57.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.761 176.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 123' ' ' ASP . 25.7 m-80 68.56 25.15 6.74 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.701 0.626 . . . . 0.0 110.43 -174.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.9 t -104.21 139.59 39.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.456 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.3 tp -72.92 113.4 9.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.984 0.421 . . . . 0.0 110.602 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.752 HD12 ' HB ' ' A' ' 121' ' ' THR . 85.3 mt -86.08 -63.65 1.28 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.747 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -124.75 139.64 53.67 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.06 -173.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.9 m -117.79 105.11 11.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.959 0.409 . . . . 0.0 110.249 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -112.61 111.93 23.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 15.3 m -74.66 137.89 42.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.477 HG23 ' HG3' ' A' ' 117' ' ' ARG . 28.0 pt -88.64 6.02 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.125 0.488 . . . . 0.0 110.725 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' HA ' HD13 ' A' ' 11' ' ' ILE . 8.6 tt0 -64.17 -23.29 67.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.04 -170.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.62 -36.42 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.877 0.37 . . . . 0.0 110.432 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.7 t -61.69 -41.47 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 8' ' ' GLN . 2.5 mp -62.22 -54.76 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.523 ' HB2' HD23 ' A' ' 61' ' ' LEU . 72.2 m-85 -66.4 -40.16 89.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.486 -177.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HA ' HD13 ' A' ' 61' ' ' LEU . 18.9 ttpp -62.34 -36.31 81.8 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.31 -37.77 88.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.86 -51.55 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.225 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.535 ' HA ' HG12 ' A' ' 19' ' ' VAL . 87.1 m-85 -69.9 -32.88 71.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.879 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.7 -39.46 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.533 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -91.5 -38.95 12.22 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.952 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -63.93 -29.04 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -175.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.559 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -70.56 -12.02 61.3 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 111.455 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 9.1 t30 -114.54 -54.48 2.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -177.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.8 -15.78 33.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.06 -173.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.7 mt 61.01 34.03 19.47 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.405 0.441 . . . . 0.0 112.044 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -79.43 86.95 5.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.616 0.722 . . . . 0.0 110.745 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 77.7 m-85 -80.0 -24.03 41.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.6 -176.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -58.18 -51.49 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.371 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -74.09 -31.57 62.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.911 0.386 . . . . 0.0 110.444 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.551 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.5 t80 -60.01 -57.64 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.395 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -66.38 -31.73 72.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.4 m -63.86 -46.68 83.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.9 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -68.74 -32.41 72.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.854 178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 76.6 mt -60.4 -49.37 77.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.922 0.392 . . . . 0.0 110.431 176.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -73.06 -12.14 60.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.591 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -100.04 -16.93 17.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.973 0.416 . . . . 0.0 111.359 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -127.57 -46.24 1.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.958 -0.463 . . . . 0.0 111.363 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.28 79.61 9.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.13 0.49 . . . . 0.0 109.853 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -70.88 -32.61 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.038 -176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 p -103.15 -82.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.244 -0.583 . . . . 0.0 111.917 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.48 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 48.0 p-80 -163.52 157.23 19.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.741 0.305 . . . . 0.0 111.286 -173.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 44.0 p90 -128.11 141.39 51.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 174.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mp -107.83 109.39 28.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.146 -178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.574 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.1 t80 -90.49 112.17 23.72 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.841 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -90.69 113.6 25.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.968 0.413 . . . . 0.0 109.914 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.97 158.77 35.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.851 -177.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.511 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . 69.36 -66.75 0.25 Allowed 'General case' 0 C--O 1.223 -0.303 0 O-C-N 124.014 0.821 . . . . 0.0 110.766 -173.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 m -60.52 -27.49 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.125 0.488 . . . . 0.0 110.428 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 46.6 mt-10 61.5 26.25 16.02 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.239 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.547 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -89.77 99.18 12.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.572 175.752 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.9 t -89.86 111.78 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.872 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -92.47 93.86 8.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.722 -177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.4 105.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.006 0.431 . . . . 0.0 110.642 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 t -87.29 114.25 26.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 172.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.37 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.281 0.563 . . . . 0.0 111.28 -176.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HG2' ' OD1' ' A' ' 55' ' ' ASN . 45.1 tttm -115.52 -65.61 1.17 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.09 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' OD1' ' HG2' ' A' ' 54' ' ' LYS . 4.5 p-10 -171.0 20.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.838 175.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -113.81 -33.8 5.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.714 -170.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -153.52 149.42 27.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.383 . . . . 0.0 110.772 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.5 m -120.24 106.04 11.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.802 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.61 103.17 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.17 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.775 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.9 pt? -93.48 118.75 31.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.256 0.551 . . . . 0.0 110.519 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.547 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 26.2 mt -90.86 175.83 6.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.95 -177.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -142.99 124.45 14.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.985 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.37 -117.99 0.63 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.648 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.4 mt -84.17 -69.8 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HB2' ' HE3' ' A' ' 65' ' ' LYS . 34.5 ttmt 178.82 -50.17 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.285 0.366 . . . . 0.0 111.213 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.498 ' C ' HD21 ' A' ' 66' ' ' ASN . 0.2 OUTLIER -145.59 -55.15 0.29 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.309 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.472 HG21 ' O ' ' A' ' 66' ' ' ASN . 10.9 tp 58.18 -54.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.527 1.531 . . . . 0.0 114.289 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.76 136.97 59.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 120.861 0.363 . . . . 0.0 110.792 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 m -82.63 106.95 14.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.61 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.511 HG23 ' HB1' ' A' ' 45' ' ' ALA . 89.5 t -68.56 113.65 4.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -85.1 135.23 34.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.907 -174.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.458 ' HA ' ' HE1' ' A' ' 122' ' ' PHE . 16.2 p90 -67.43 90.22 0.24 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 122.119 0.962 . . . . 0.0 110.786 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.8 m -146.13 177.82 8.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.36 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -151.4 72.49 1.04 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.451 0.643 . . . . 0.0 109.832 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -115.16 120.82 41.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.091 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.51 ' HA ' HD12 ' A' ' 79' ' ' ILE . 28.9 ptt180 -92.17 -13.38 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.797 -176.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -71.47 -40.29 70.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.491 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.472 HD22 ' HB3' ' A' ' 103' ' ' ALA . 42.1 tp -64.26 -42.65 96.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 76' ' ' ARG . 66.1 mt -57.4 -50.34 77.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.624 174.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.37 -50.08 63.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.109 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.9 m -62.18 -38.57 89.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.797 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.491 HG22 ' CD1' ' A' ' 96' ' ' TYR . 31.1 m -67.94 -45.4 74.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.714 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.2 m -58.06 -42.27 85.11 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -70.52 -40.14 73.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.732 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.722 ' HE3' HD11 ' A' ' 91' ' ' ILE . 36.2 ttpt -63.33 -41.56 98.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.314 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.494 HD11 ' HH ' ' A' ' 25' ' ' TYR . 54.1 tp -71.2 -41.87 69.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.882 -0.511 . . . . 0.0 110.567 177.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.601 ' HB2' ' HZ1' ' A' ' 87' ' ' LYS . 4.2 ttmp? -70.26 -39.33 75.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.683 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.5 m -94.89 -36.39 11.64 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -175.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 89' ' ' ARG . 20.6 ttt180 -97.35 -27.52 14.45 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.461 -173.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 62.95 70.34 0.55 Allowed 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.721 0.638 . . . . 0.0 110.172 -172.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.722 HD11 ' HE3' ' A' ' 85' ' ' LYS . 46.4 pt -85.48 -179.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.726 176.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.443 ' HB ' ' HG3' ' A' ' 95' ' ' GLU . 1.8 m -74.87 143.01 44.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.076 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.559 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 63.8 t80 -62.62 -30.37 71.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.996 0.426 . . . . 0.0 110.341 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 10.0 tt0 -64.96 -38.55 91.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.608 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 37.5 mt-10 -67.6 -34.48 77.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.358 0.599 . . . . 0.0 109.92 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.491 ' CD1' HG22 ' A' ' 82' ' ' THR . 38.0 t80 -64.49 -49.56 70.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.425 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 1.0 OUTLIER -65.89 -32.53 74.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.733 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 93.7 mtt-85 -67.33 -44.1 79.95 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.61 0.243 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.04 -42.41 99.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.1 mt -65.41 -39.24 91.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.067 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.59 96.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.426 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -79.16 -12.49 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.5 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.472 ' HB3' HD22 ' A' ' 78' ' ' LEU . . . -82.88 -14.45 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.171 0.51 . . . . 0.0 110.571 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.75 8.67 34.25 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.544 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.32 120.24 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.946 0.403 . . . . 0.0 110.179 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -118.94 -26.44 6.01 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.056 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.48 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 10.0 ttp85 -123.6 99.73 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.588 0.709 . . . . 0.0 110.501 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.574 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.3 t90 -97.74 99.55 10.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.534 -177.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 44.8 t -104.49 105.39 18.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.761 0.315 . . . . 0.0 111.219 -174.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.553 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 30.4 m -97.52 109.28 22.06 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.74 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.48 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 62.8 t30 -97.05 96.66 8.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.165 -177.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.7 mm -64.14 -29.11 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.266 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -61.5 -21.8 64.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.218 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -116.4 -8.45 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 60.84 33.76 19.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.389 0.614 . . . . 0.0 109.814 -173.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -120.73 150.5 40.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.603 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 129' ' ' THR . 39.0 ttm180 -121.29 108.51 13.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.829 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -94.46 133.53 37.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.079 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.74 113.62 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.474 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.48 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 77.3 m-85 -113.63 140.97 47.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.198 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.594 ' HB ' HD12 ' A' ' 127' ' ' LEU . 10.0 t -83.97 167.49 16.88 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.458 ' HE1' ' HA ' ' A' ' 72' ' ' PHE . 47.5 p90 -66.89 -20.69 65.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 110.924 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.26 0.73 20.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.658 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 54.1 t30 64.1 79.18 0.26 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.534 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.5 m -152.53 132.84 13.65 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.132 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.06 103.88 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.044 0.45 . . . . 0.0 109.807 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.594 HD12 ' HB ' ' A' ' 121' ' ' THR . 79.5 mt -80.09 -52.46 7.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.549 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -151.33 158.12 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.922 -177.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 61.5 m -149.8 111.58 4.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.235 177.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -104.88 157.98 16.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.0 t -119.41 132.17 55.78 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.611 -0.435 . . . . 0.0 109.909 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 6.6 pt -83.83 -0.4 5.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.539 0.685 . . . . 0.0 110.046 176.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 171.032 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.606 ' HA ' HD13 ' A' ' 11' ' ' ILE . 3.2 pt20 -67.6 -14.61 63.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.175 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.92 -38.69 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.88 -31.91 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.646 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.606 HD13 ' HA ' ' A' ' 8' ' ' GLN . 1.8 mp -67.14 -57.42 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.641 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.493 ' HB3' HD13 ' A' ' 61' ' ' LEU . 80.7 m-85 -66.67 -44.69 81.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.783 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.14 -36.2 82.83 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.47 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.67 -39.52 91.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.372 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 11' ' ' ILE . 67.6 mt -56.69 -54.85 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -66.79 -38.08 85.82 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.456 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.32 -46.06 78.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HE2' ' HB3' ' A' ' 18' ' ' LYS . 37.8 mtpt -75.11 -37.52 61.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.494 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.25 -22.59 31.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.707 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.574 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 12.3 mtm180 -56.53 -36.9 69.75 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.611 173.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -106.77 -41.86 5.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.776 -174.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.85 -32.31 72.73 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 93' ' ' PHE . 66.9 mt 61.19 28.63 18.22 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.499 0.499 . . . . 0.0 110.975 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -91.04 79.12 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.686 0.755 . . . . 0.0 110.67 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -64.9 -31.25 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.042 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -54.73 -55.9 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.591 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -67.98 -38.27 82.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.546 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.546 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 59.1 t80 -55.11 -55.88 26.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.2 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -70.53 -29.13 65.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.597 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.459 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 66.6 m -61.84 -51.75 66.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.745 0.307 . . . . 0.0 110.485 177.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' O ' ' HD2' ' A' ' 35' ' ' HIS . 49.8 mm-40 -68.6 -30.66 69.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.151 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 54.8 mt -58.9 -58.02 10.47 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.254 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -58.8 -34.95 72.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 111.463 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 30' ' ' SER . 78.0 mtp180 -66.41 -41.75 88.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.658 0.266 . . . . 0.0 111.648 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' HD2' ' O ' ' A' ' 31' ' ' GLU . 24.3 m-70 -103.78 -59.06 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.482 . . . . 0.0 110.236 -172.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -96.82 85.17 3.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.655 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.8 t -79.18 -17.6 13.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.727 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.535 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 14.8 m -93.21 -83.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.492 -175.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 7.5 p-80 -176.18 154.6 1.41 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.68 0.276 . . . . 0.0 111.562 -175.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 51.2 p90 -124.91 139.36 53.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.542 178.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.4 ' N ' HD11 ' A' ' 41' ' ' ILE . 4.5 mp -105.61 101.59 12.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.575 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.612 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 3.3 t80 -95.39 107.88 20.05 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.89 -175.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 106' ' ' PHE . 75.8 m-85 -88.02 124.7 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.521 174.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -77.31 -174.7 3.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.102 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' A' ' 67' ' ' ILE . . . 71.29 -66.93 0.28 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.403 0.681 . . . . 0.0 111.531 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.455 ' HG1' ' ND2' ' A' ' 48' ' ' ASN . 32.4 p -89.76 -18.5 26.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.264 0.554 . . . . 0.0 109.97 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' CD ' HH12 ' A' ' 20' ' ' ARG . 5.9 mt-10 65.1 50.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.632 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.602 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 94.9 m-20 -88.74 95.63 10.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.715 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 14.5 t -94.39 107.39 19.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.469 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -90.47 95.43 10.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 58' ' ' THR . 65.0 mt -92.38 106.0 17.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.315 -177.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' A' ' 38' ' ' SER . 44.8 t -86.03 110.57 20.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.1 mt -76.45 170.81 15.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.865 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -70.81 -7.52 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.32 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.474 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 4.3 t-20 -105.3 20.22 19.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.778 -178.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 11.7 t70 77.32 -35.7 0.22 Allowed 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.015 177.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -57.83 133.88 55.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 46.5 m -106.67 119.93 40.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.187 0.518 . . . . 0.0 110.96 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.9 t -91.31 103.08 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 3.7 pp -93.15 126.63 38.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.181 0.515 . . . . 0.0 110.435 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 40.5 mt -105.83 146.8 29.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.095 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -123.26 105.79 10.16 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.554 ' O ' ' HG ' ' A' ' 64' ' ' LEU . . . -61.87 -55.27 29.32 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.264 -178.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 63' ' ' GLY . 4.6 pp 52.66 7.28 0.06 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.703 1.201 . . . . 0.0 114.008 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -112.76 9.75 19.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.178 0.513 . . . . 0.0 110.233 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -154.89 78.94 1.06 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.204 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 37.7 mm -87.65 95.88 5.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.335 -177.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.07 136.09 32.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.47 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 m -70.57 102.95 2.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.777 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.498 HG21 ' HB1' ' A' ' 101' ' ' ALA . 24.6 t -94.62 135.44 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.064 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -99.72 -175.52 3.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.002 0.429 . . . . 0.0 110.861 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.518 ' HD1' ' HB3' ' A' ' 122' ' ' PHE . 27.0 m-85 -109.68 21.02 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.51 0.671 . . . . 0.0 109.259 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.421 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 14.9 m -76.53 166.78 22.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.038 -175.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.77 80.95 1.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.815 176.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.456 ' HB2' ' HA ' ' A' ' 103' ' ' ALA . 4.1 m-20 -106.96 85.3 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.046 0.45 . . . . 0.0 111.088 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.513 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 42.6 ttm180 -69.27 -38.24 78.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.077 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -61.76 -30.58 70.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.9 tp -73.41 -36.58 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.07 -49.29 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.158 0.504 . . . . 0.0 109.858 174.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 41.2 mt-10 -57.39 -48.43 79.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.0 p -66.5 -38.65 87.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.382 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.463 HG23 ' CD1' ' A' ' 96' ' ' TYR . 88.3 m -64.35 -39.95 94.9 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.614 0.245 . . . . 0.0 110.96 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -60.87 -50.03 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -62.39 -39.34 92.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.707 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.571 ' HE2' HG23 ' A' ' 91' ' ' ILE . 81.3 tttt -61.98 -36.62 82.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.337 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.474 ' HA ' HG12 ' A' ' 91' ' ' ILE . 61.3 tp -69.12 -39.66 78.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.995 0.426 . . . . 0.0 110.586 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -75.2 -31.0 60.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.116 0.484 . . . . 0.0 111.041 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.4 p -79.41 -68.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.06 -175.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 89' ' ' ARG . 0.4 OUTLIER -93.76 -2.2 54.02 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -173.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 43.0 mt-10 52.61 67.61 0.96 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.41 0.624 . . . . 0.0 110.707 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.571 HG23 ' HE2' ' A' ' 85' ' ' LYS . 48.2 pt -75.75 175.84 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.064 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.551 ' HB ' ' HG3' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -73.15 142.85 47.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.694 179.64 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.574 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 54.8 t80 -66.8 -24.16 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 110.663 -176.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -66.03 -30.33 70.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.003 174.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.551 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 38.2 mt-10 -75.68 -42.9 49.89 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.16 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.463 ' CD1' HG23 ' A' ' 82' ' ' THR . 73.0 t80 -55.17 -43.08 73.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.446 ' HD2' ' CE2' ' A' ' 93' ' ' PHE . 33.9 mtp180 -70.58 -36.97 73.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.444 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -72.32 -35.65 68.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 111.255 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.42 ' N ' HD21 ' A' ' 99' ' ' ASN . 0.9 OUTLIER -67.87 -35.12 77.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.109 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.4 mt -64.55 -37.51 87.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.889 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.498 ' HB1' HG21 ' A' ' 70' ' ' VAL . . . -58.37 -42.33 86.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.198 0.523 . . . . 0.0 110.667 177.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -68.4 -27.45 66.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.037 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . . . -77.77 -8.24 57.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.365 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 96.61 7.63 57.77 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.355 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.32 102.62 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.078 0.466 . . . . 0.0 110.304 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 55.0 t80 -103.04 -19.14 14.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.236 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.825 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 21.6 ttt180 -118.7 100.17 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.227 0.537 . . . . 0.0 110.912 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.7 t90 -95.89 103.02 14.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.112 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.478 HG21 ' HG2' ' A' ' 107' ' ' ARG . 59.9 t -112.51 101.44 12.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.994 0.426 . . . . 0.0 110.88 -177.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.525 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 93.5 m -102.65 111.02 23.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.025 0.44 . . . . 0.0 110.513 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.597 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 91.5 m-20 -86.57 109.07 18.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.056 175.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.3 mm -64.88 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.18 0.514 . . . . 0.0 110.328 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -63.74 -27.36 69.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.651 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.55 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 2.3 mp0 -93.31 -20.78 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.437 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 61.21 35.62 18.28 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.563 0.697 . . . . 0.0 109.9 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.556 ' HG2' ' HB3' ' A' ' 131' ' ' SER . 94.6 mttt -131.55 133.51 45.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.915 -176.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 117' ' ' ARG . 6.6 mtp180 -102.14 102.22 12.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.341 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -87.91 129.7 35.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.528 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -112.4 114.07 26.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.004 0.43 . . . . 0.0 110.483 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.825 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 86.5 m-85 -111.73 143.08 43.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.387 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.486 ' HB ' HD13 ' A' ' 127' ' ' LEU . 9.5 t -78.77 170.21 17.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 171.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.518 ' HB3' ' HD1' ' A' ' 72' ' ' PHE . 61.4 t80 -65.0 -26.03 68.11 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.199 0.524 . . . . 0.0 110.312 -178.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.74 -17.77 57.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.494 174.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 t30 71.11 77.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.527 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -155.92 144.02 19.86 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.716 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.487 HD12 ' HG1' ' A' ' 129' ' ' THR . 44.0 tp -72.1 103.6 3.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.893 -176.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.486 HD13 ' HB ' ' A' ' 121' ' ' THR . 37.8 mt -86.45 -41.11 14.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.984 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -154.66 148.48 25.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.859 0.361 . . . . 0.0 110.777 -176.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.487 ' HG1' HD12 ' A' ' 126' ' ' LEU . 37.7 m -128.06 100.22 5.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.053 175.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -89.76 92.92 9.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.255 0.55 . . . . 0.0 109.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.556 ' HB3' ' HG2' ' A' ' 116' ' ' LYS . 1.4 p -79.41 119.95 23.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.697 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.0 pt -86.72 62.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.062 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.907 179.83 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.544 ' HB2' HG23 ' A' ' 10' ' ' VAL . 7.7 m-20 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.68 -34.1 61.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.478 . . . . 0.0 110.511 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.78 -41.22 79.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.015 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 7' ' ' ASP . 92.3 t -62.62 -47.64 91.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.43 -176.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.7 mp -56.86 -54.35 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.684 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' O ' ' HD1' ' A' ' 16' ' ' PHE . 56.9 m-85 -65.2 -42.84 93.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.846 0.355 . . . . 0.0 111.46 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.543 ' HA ' HD13 ' A' ' 61' ' ' LEU . 46.7 tttm -63.53 -39.76 95.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.283 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -65.43 -32.62 74.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.572 0.225 . . . . 0.0 111.217 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 11' ' ' ILE . 73.3 mt -62.67 -55.9 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.249 177.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.504 ' HA ' HG11 ' A' ' 19' ' ' VAL . 78.2 m-85 -65.02 -38.05 89.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.288 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.95 -41.43 97.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.704 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -91.3 -30.53 16.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.504 HG11 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -66.68 -27.9 41.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 O-C-N 122.127 -0.358 . . . . 0.0 110.994 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 39.1 ptt180 -72.57 -7.72 51.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.818 0.342 . . . . 0.0 111.142 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -115.43 -47.16 2.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.682 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -78.05 -25.56 47.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.39 -174.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt 66.37 25.38 10.36 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.259 176.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -81.68 84.71 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.093 0.473 . . . . 0.0 109.862 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.522 ' HH ' ' HD1' ' A' ' 93' ' ' PHE . 84.7 m-85 -74.29 -25.3 59.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.483 -178.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.34 -56.03 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.741 0.305 . . . . 0.0 110.463 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -67.74 -38.19 83.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.472 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.492 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.5 t80 -54.52 -56.94 13.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.474 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -75.1 -20.61 59.39 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -176.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.464 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 72.4 m -71.05 -42.53 69.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 0.0 110.284 176.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -67.41 -38.56 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.054 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 54.3 mt -57.92 -46.92 84.26 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -72.66 -14.43 61.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 30' ' ' SER . 54.5 mtm180 -100.12 -3.48 31.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.108 -0.37 . . . . 0.0 111.596 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -130.31 -58.56 1.06 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.112 0.482 . . . . 0.0 110.793 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -86.3 89.52 7.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.291 -176.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.14 -23.31 15.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.662 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 35.4 t -100.79 -89.02 0.35 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.29 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.429 ' CB ' ' HA ' ' A' ' 111' ' ' ASN . 28.2 p-80 -174.25 158.6 3.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.67 -174.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.619 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 51.9 p90 -125.76 146.05 49.94 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.356 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.401 ' N ' HD13 ' A' ' 41' ' ' ILE . 4.6 mp -111.41 109.99 30.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.803 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.884 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -99.04 108.83 21.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.734 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -80.19 115.95 20.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.553 HD13 ' HB2' ' A' ' 108' ' ' TRP . 6.9 mp -72.68 -47.3 48.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -172.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.503 ' HB2' ' HE1' ' A' ' 106' ' ' PHE . . . -81.77 39.68 0.56 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.088 0.471 . . . . 0.0 111.532 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 m -166.15 -36.1 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.363 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.466 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 24.9 tt0 65.57 67.06 0.5 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.649 -174.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.589 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 48.5 t-20 -137.28 113.12 9.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.569 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 4.8 t -95.45 120.23 44.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.334 -176.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -101.9 97.7 8.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.474 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.32 109.81 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.669 0.271 . . . . 0.0 110.617 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 38' ' ' SER . 34.9 t -94.88 99.37 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.477 HD11 ' HB3' ' A' ' 56' ' ' ASP . 86.5 mt -52.45 -51.64 58.2 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.408 -175.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 33.7 ttpt -177.91 -70.08 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -152.54 16.81 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.002 0.906 . . . . 0.0 108.707 170.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.477 ' HB3' HD11 ' A' ' 53' ' ' LEU . 7.4 t70 -80.07 -60.58 2.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.297 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -167.5 166.62 14.17 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.101 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.2 m -107.28 121.66 45.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.698 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 t -96.26 119.93 44.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.508 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -105.71 117.16 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.148 0.499 . . . . 0.0 110.331 177.416 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.589 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 25.8 mt -107.14 107.96 19.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.852 -176.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -83.72 115.55 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.466 ' HA3' ' HG2' ' A' ' 47' ' ' GLU . . . -80.69 -123.15 0.53 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.729 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.808 HD11 HD13 ' A' ' 67' ' ' ILE . 86.5 mt -61.91 -80.94 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -176.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -173.13 -59.55 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -173.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -129.01 -89.5 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -169.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.808 HD13 HD11 ' A' ' 64' ' ' LEU . 15.9 mt 61.58 38.25 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.689 0.757 . . . . 0.0 111.133 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.2 t -76.1 94.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.287 0.565 . . . . 0.0 110.043 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 t -130.19 20.98 5.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.277 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.641 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 97.8 t -83.21 129.77 36.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.906 -177.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 21.3 mtmm -76.01 142.51 41.84 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 122' ' ' PHE . 23.0 p90 -76.88 50.8 0.74 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.601 0.715 . . . . 0.0 110.345 176.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -143.69 -169.23 3.03 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.297 -173.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.518 ' HG2' HD23 ' A' ' 127' ' ' LEU . 25.8 mtmm -134.79 81.92 1.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.468 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 8.7 t0 -96.74 87.61 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.899 -171.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -69.83 -31.8 69.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.0 0.429 . . . . 0.0 110.709 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -61.89 -38.82 89.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.183 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 26.0 tp -70.98 -33.77 70.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.462 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.18 -50.24 81.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.828 0.347 . . . . 0.0 110.194 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -54.68 -49.25 71.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.218 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 p -70.55 -33.38 71.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.977 -175.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.501 HG23 ' CD1' ' A' ' 96' ' ' TYR . 80.3 m -66.59 -47.42 72.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.662 0.268 . . . . 0.0 110.815 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.0 m -64.12 -32.86 74.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.696 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.17 -37.68 75.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.083 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.49 -38.75 81.27 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.816 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.17 -42.3 90.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.44 0.638 . . . . 0.0 110.005 176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -71.82 -27.12 62.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.89 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 t -64.88 -70.65 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.526 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.492 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 29.1 ttt180 -102.0 -77.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.401 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 10.9 mt-10 179.5 -46.12 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.572 -171.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.2 pt 43.87 -150.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 124.301 1.0 . . . . 0.0 112.129 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.7 m -133.0 144.09 49.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.522 ' HD1' ' HH ' ' A' ' 25' ' ' TYR . 68.0 t80 -58.58 -31.59 68.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.031 0.443 . . . . 0.0 110.734 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.37 -39.33 94.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.663 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.12 -38.48 61.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.056 0.455 . . . . 0.0 110.056 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.501 ' CD1' HG23 ' A' ' 82' ' ' THR . 56.2 t80 -56.09 -48.63 75.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.323 177.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -28.76 63.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.778 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -63.97 -45.58 88.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.979 0.419 . . . . 0.0 110.942 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -73.71 -29.87 62.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 48.3 mt -63.26 -43.09 98.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.86 0.362 . . . . 0.0 110.253 174.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.641 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -59.96 -42.44 94.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.166 0.507 . . . . 0.0 110.231 176.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 35.9 ttpt -68.96 -12.16 61.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.109 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 75' ' ' ASP . . . -90.48 -8.99 48.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.066 0.46 . . . . 0.0 110.558 176.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.64 1.25 40.1 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.05 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.414 HG22 HD13 ' A' ' 127' ' ' LEU . 61.1 t -71.66 108.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.246 0.546 . . . . 0.0 109.956 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.503 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 81.5 t80 -105.38 -25.0 12.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.929 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.561 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 15.3 mtp180 -122.1 98.48 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.948 -177.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.884 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.5 t90 -83.58 100.88 11.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.8 t -112.7 101.67 12.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.038 0.447 . . . . 0.0 111.001 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.619 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 37.5 m -98.6 110.85 23.38 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.538 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.429 ' HA ' ' CB ' ' A' ' 39' ' ' HIS . 6.9 m-20 -89.2 98.59 11.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.955 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 51.1 mm -66.96 -29.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -63.11 -16.4 59.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.236 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.598 ' HB3' ' HE2' ' A' ' 116' ' ' LYS . 47.6 mt-10 -125.68 -4.23 7.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.654 HE21 HD13 ' A' ' 132' ' ' ILE . 3.8 tp60 57.25 36.85 27.87 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.525 0.516 . . . . 0.0 110.815 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.598 ' HE2' ' HB3' ' A' ' 114' ' ' GLU . 48.3 mtmt -134.11 151.68 51.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.576 ' HD2' ' OH ' ' A' ' 119' ' ' TYR . 35.8 ttm180 -113.63 118.7 35.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.896 0.379 . . . . 0.0 110.382 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -97.88 135.76 39.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.677 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.576 ' OH ' ' HD2' ' A' ' 117' ' ' ARG . 77.1 m-85 -111.72 107.33 16.39 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.561 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 80.2 m-85 -109.36 143.86 38.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.588 ' HB ' HD11 ' A' ' 127' ' ' LEU . 8.9 t -90.06 175.24 7.24 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 171.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 72' ' ' PHE . 38.6 p90 -70.07 -15.81 63.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.249 0.547 . . . . 0.0 110.107 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.05 -5.59 51.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.779 175.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 64.11 16.32 9.91 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.214 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -86.94 124.94 33.69 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.21 114.57 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 110.31 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.588 HD11 ' HB ' ' A' ' 121' ' ' THR . 67.3 mt -83.36 -55.17 4.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.326 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -151.4 154.96 37.66 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.716 -175.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 46.6 m -134.14 108.0 8.05 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -107.94 114.87 29.11 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.165 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.6 m -69.7 123.48 21.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.644 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.654 HD13 HE21 ' A' ' 115' ' ' GLN . 4.6 pt -73.44 92.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.248 0.547 . . . . 0.0 111.653 -175.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 . . . . . 0 N--CA 1.465 0.324 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.832 175.276 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 120.358 0.123 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.6 ' HA ' HD13 ' A' ' 11' ' ' ILE . 8.1 pt20 -68.43 -11.51 59.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.459 HG12 HD23 ' A' ' 61' ' ' LEU . 60.9 t -54.24 -43.05 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.973 173.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.66 -39.87 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.926 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.6 HD13 ' HA ' ' A' ' 8' ' ' GLN . 1.9 mp -60.46 -53.87 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.766 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.518 ' HB3' HD13 ' A' ' 61' ' ' LEU . 10.6 m-85 -62.36 -42.37 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.279 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HE2' ' HA2' ' A' ' 63' ' ' GLY . 30.1 tttm -67.67 -37.21 82.06 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.581 -177.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.99 -35.47 66.82 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.816 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.449 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 53.2 mt -61.09 -49.93 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.498 176.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -68.98 -39.73 79.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.382 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.42 -28.74 69.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -72.07 -49.74 33.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.037 0.446 . . . . 0.0 110.402 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.97 -23.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.285 -172.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 41.0 ptt85 -67.89 -26.58 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.723 -177.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.442 HD21 ' HA ' ' A' ' 21' ' ' ASN . 5.9 m120 -113.27 -42.64 3.47 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.92 -26.99 30.92 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.199 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt 64.13 29.93 13.93 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.846 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -80.62 76.86 7.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.639 0.733 . . . . 0.0 110.769 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.538 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 75.1 m-85 -63.91 -21.73 66.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.919 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -54.95 -49.1 72.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.662 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.449 ' CZ3' ' HA ' ' A' ' 15' ' ' ILE . 38.6 t90 -84.29 -35.84 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.333 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 45.6 t80 -53.47 -55.91 21.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.505 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -69.34 -27.68 65.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.577 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.5 m -65.16 -45.9 83.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.71 0.29 . . . . 0.0 110.712 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.45 -27.56 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.497 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 82.0 mt -66.25 -39.53 89.55 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -76.22 -15.27 60.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.383 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -97.25 -31.68 12.3 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -113.84 -46.82 3.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -172.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' O ' ' HB ' ' A' ' 112' ' ' ILE . 2.0 m-20 -84.62 47.43 1.37 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.558 -173.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.4 t -57.27 -24.96 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.064 -173.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.619 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 12.4 t -96.95 -84.29 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.735 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 7.1 p-80 -172.43 150.77 2.35 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.23 -0.294 . . . . 0.0 111.116 -177.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.624 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 38.1 p90 -123.72 138.44 54.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.016 0.436 . . . . 0.0 110.507 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -106.75 116.28 50.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.222 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.816 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -102.81 115.03 29.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.052 -177.832 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -95.19 105.2 17.11 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' A' ' 108' ' ' TRP . 7.1 mp -66.07 -26.25 67.4 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.99 -13.94 58.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.064 0.459 . . . . 0.0 111.847 -175.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.427 ' HB ' HD21 ' A' ' 48' ' ' ASN . 24.9 m -123.85 -19.19 5.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.353 0.596 . . . . 0.0 110.766 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.587 ' HG3' ' HH ' ' A' ' 42' ' ' TYR . 26.6 tt0 63.79 28.99 14.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.878 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.427 HD21 ' HB ' ' A' ' 46' ' ' THR . 9.5 p30 -94.65 131.03 40.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 171.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.6 t -112.36 114.4 46.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.157 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -92.66 95.85 9.83 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.701 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.444 HD11 ' HG ' ' A' ' 61' ' ' LEU . 3.5 mp -86.72 104.86 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.006 0.431 . . . . 0.0 110.054 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.468 ' O ' ' HB3' ' A' ' 38' ' ' SER . 61.2 t -83.38 116.52 27.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 174.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 56' ' ' ASP . 84.0 mt -70.23 178.83 2.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.888 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -42.09 -55.91 3.04 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.036 0.835 . . . . 0.0 111.992 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -156.48 21.95 0.35 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.107 0.956 . . . . 0.0 108.51 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.546 ' HB2' ' HB2' ' A' ' 53' ' ' LEU . 5.8 m-20 -92.03 -88.0 0.21 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.513 -171.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -154.9 -168.97 3.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.768 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.9 m -110.93 114.49 27.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.05 0.452 . . . . 0.0 111.455 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.27 107.2 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.35 114.65 27.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.127 0.489 . . . . 0.0 111.59 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.518 HD13 ' HB3' ' A' ' 12' ' ' PHE . 44.9 mt -87.88 116.68 26.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.396 174.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -87.55 113.02 22.86 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.453 ' HA2' ' HE2' ' A' ' 13' ' ' LYS . . . -74.32 -95.77 0.11 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.434 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.504 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 91.9 mt -100.19 -89.97 0.32 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 84.4 tttt 173.24 -64.79 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.312 0.382 . . . . 0.0 111.434 175.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.448 ' C ' HD13 ' A' ' 67' ' ' ILE . 3.7 t-20 -121.43 89.67 3.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.448 HD13 ' C ' ' A' ' 66' ' ' ASN . 4.2 mp -134.15 91.58 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.373 0.606 . . . . 0.0 109.588 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.7 t -95.73 82.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.296 0.569 . . . . 0.0 110.698 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.2 m -108.63 5.09 24.63 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 40.0 t -91.61 120.29 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.25 -178.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -76.97 155.12 32.9 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.504 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -88.97 11.11 19.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.599 0.714 . . . . 0.0 110.243 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.1 m -91.03 -173.78 3.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.559 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.521 ' HB2' HD23 ' A' ' 127' ' ' LEU . 24.8 pttm -150.21 128.18 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.05 0.452 . . . . 0.0 111.05 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -138.32 142.57 39.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.249 172.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -100.42 -14.13 18.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.15 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -75.8 -49.99 16.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.168 -176.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.75 -39.28 88.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.83 -48.28 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.031 0.444 . . . . 0.0 110.439 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.67 -50.59 73.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.467 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -62.01 -46.05 90.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.511 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.451 HG21 ' HD1' ' A' ' 96' ' ' TYR . 40.4 m -63.25 -39.71 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.417 -177.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -67.73 -43.1 80.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.921 0.391 . . . . 0.0 111.142 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -64.76 -48.36 74.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.151 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -63.26 -32.19 73.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.211 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 46.9 tp -56.73 -51.35 69.18 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.202 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -81.82 -19.52 40.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.115 -176.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.2 m -72.67 -57.89 3.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -91.75 -19.12 22.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.415 . . . . 0.0 110.525 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.586 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 22.9 mt-10 57.55 62.05 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.333 -174.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.4 pt -78.58 169.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.31 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -65.03 156.2 32.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.37 0.605 . . . . 0.0 111.849 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.552 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 26.5 t80 -63.57 -23.97 67.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.142 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.24 -43.27 78.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.831 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.8 -42.33 99.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 110.253 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.501 ' HB2' HD11 ' A' ' 86' ' ' LEU . 41.6 t80 -60.29 -45.87 91.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.101 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -62.13 -48.87 78.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.693 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -61.7 -40.34 94.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.587 -172.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.7 -35.38 75.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.646 0.26 . . . . 0.0 110.836 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.443 HD21 HG22 ' A' ' 105' ' ' VAL . 71.8 mt -63.27 -41.74 99.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.032 0.444 . . . . 0.0 110.417 175.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.523 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -60.11 -39.74 87.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.839 178.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -69.77 -25.77 63.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.095 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.21 -19.2 43.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.73 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.29 16.7 11.75 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.939 177.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.443 HG22 HD21 ' A' ' 100' ' ' LEU . 66.6 t -76.32 100.51 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.106 0.479 . . . . 0.0 109.944 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -94.21 -31.31 14.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.75 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.454 ' HG2' HG22 ' A' ' 109' ' ' VAL . 33.0 ttp-105 -128.49 108.5 10.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.471 0.653 . . . . 0.0 110.998 -177.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.816 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.5 t90 -97.44 103.51 15.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.23 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.454 HG22 ' HG2' ' A' ' 107' ' ' ARG . 41.2 t -110.94 94.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.01 0.433 . . . . 0.0 111.189 -175.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.737 HG21 ' HG2' ' A' ' 117' ' ' ARG . 93.8 m -86.92 108.32 18.75 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.509 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 41.8 t-20 -99.34 93.86 6.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.718 -176.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' A' ' 36' ' ' ASN . 50.9 mm -64.95 -34.77 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.21 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.619 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 52.3 t-80 -62.3 -26.27 68.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.968 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -109.97 -4.01 16.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.773 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 63.21 37.2 11.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.458 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -136.96 158.52 44.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.771 0.319 . . . . 0.0 110.856 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.737 ' HG2' HG21 ' A' ' 110' ' ' THR . 56.3 mtp180 -123.08 102.35 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 172.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.443 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 76.3 m-85 -86.36 137.83 32.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.495 -174.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.408 ' HD2' ' HB3' ' A' ' 128' ' ' PHE . 96.5 m-85 -119.67 109.93 16.23 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.518 176.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.539 ' HB3' ' HA ' ' A' ' 124' ' ' ASN . 97.1 m-85 -111.91 144.54 41.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.492 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.0 t -89.17 -176.98 5.3 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -56.68 -32.62 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.882 0.373 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -97.52 20.08 12.34 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.494 0.664 . . . . 0.0 110.011 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.539 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 25.5 m-20 73.28 -77.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.537 1.135 . . . . 0.0 109.507 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t 60.95 -42.33 0.11 Allowed 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 125.401 1.481 . . . . 0.0 114.031 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 124' ' ' ASN . 51.1 tp 63.86 81.67 0.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.422 0.63 . . . . 0.0 109.381 -170.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 74' ' ' LYS . 95.9 mt -86.43 -33.95 20.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.002 -175.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.408 ' HB3' ' HD2' ' A' ' 119' ' ' TYR . 0.4 OUTLIER -152.87 154.53 35.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.852 -177.413 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 4.5 t -162.87 99.11 0.98 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.643 0.735 . . . . 0.0 110.061 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -89.94 127.34 36.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.968 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.9 t -91.04 119.51 31.26 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.2 pt -79.54 98.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.591 0.71 . . . . 0.0 110.577 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.774 -176.424 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.57 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 8.7 t0 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.325 0.583 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.88 -29.43 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.989 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.57 ' HB ' ' OD2' ' A' ' 7' ' ' ASP . 66.0 t -63.35 -34.72 68.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.101 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 98.3 t -58.03 -50.52 77.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.64 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.526 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -58.44 -52.64 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 -177.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.456 ' HA ' HD13 ' A' ' 15' ' ' ILE . 55.2 m-85 -61.57 -41.21 97.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.758 0.313 . . . . 0.0 111.248 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HA ' HD11 ' A' ' 61' ' ' LEU . 37.4 ttpt -63.89 -40.92 97.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.568 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 10' ' ' VAL . 98.0 mt-30 -60.28 -37.57 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.661 0.267 . . . . 0.0 110.826 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 11' ' ' ILE . 82.8 mt -59.04 -58.48 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.681 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.486 ' HA ' HG13 ' A' ' 19' ' ' VAL . 94.6 m-85 -70.23 -32.64 70.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.623 -175.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.49 -45.4 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.058 0.456 . . . . 0.0 110.365 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -72.94 -39.86 65.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.448 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.486 HG13 ' HA ' ' A' ' 16' ' ' PHE . 10.8 p -66.55 -27.34 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 122.061 -0.399 . . . . 0.0 110.85 -178.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HG3' ' HD2' ' A' ' 93' ' ' PHE . 54.5 ttp180 -75.98 -10.79 59.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.1 0.476 . . . . 0.0 110.495 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -113.23 -53.0 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.466 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 19.8 t70 -75.98 -23.39 55.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.872 -176.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt 62.3 34.6 15.75 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.774 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.466 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 51.4 t-20 -88.3 98.34 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.757 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -89.76 -24.63 21.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -58.15 -50.57 73.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.377 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -74.83 -37.48 62.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.335 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.5 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.9 t80 -50.45 -61.53 2.13 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.144 -175.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -67.94 -29.94 69.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.622 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.497 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 22.3 m -73.09 -37.36 66.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.852 0.358 . . . . 0.0 110.559 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' CD ' HH21 ' A' ' 34' ' ' ARG . 8.3 tp10 -67.92 -41.59 82.4 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.408 0.623 . . . . 0.0 109.758 176.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 93.9 mt -58.05 -42.02 84.54 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.282 175.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -61.92 -28.58 69.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.926 0.393 . . . . 0.0 111.342 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 30' ' ' SER . 52.5 mtm180 -80.19 -22.4 41.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.484 -177.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -121.41 -55.07 1.96 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.005 0.431 . . . . 0.0 111.7 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.04 79.84 5.41 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.325 -176.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' A' ' 113' ' ' HIS . 42.3 t -65.59 -29.59 47.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.86 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 t -106.9 -87.2 0.48 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.409 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -162.07 155.09 20.34 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.426 -0.509 . . . . 0.0 112.127 -171.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.735 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 41.3 p90 -125.75 144.04 50.79 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 172.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.5 mp -107.95 109.36 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.988 0.423 . . . . 0.0 110.149 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.783 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 13.1 t80 -94.88 111.53 23.32 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 176.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -85.83 116.02 23.83 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.569 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.403 ' C ' ' H ' ' A' ' 46' ' ' THR . 6.4 mp -69.46 161.43 29.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 74.36 -22.54 0.25 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.708 0.63 . . . . 0.0 112.08 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.403 ' H ' ' C ' ' A' ' 44' ' ' LEU . 27.1 p -116.73 -23.53 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 66.87 24.09 9.82 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.924 0.393 . . . . 0.0 110.748 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.419 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -94.97 113.08 24.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.893 0.378 . . . . 0.0 110.165 179.334 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.92 121.38 54.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.53 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -108.53 102.26 11.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.854 0.359 . . . . 0.0 110.279 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.5 mp -92.18 109.54 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.714 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.02 109.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 57' ' ' ASN . 36.8 mt -54.61 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.526 0.516 . . . . 0.0 111.241 -174.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 55' ' ' ASN . 85.7 tttt -121.03 -32.81 3.86 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.517 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 63.3 t30 155.18 -19.38 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.115 -1.402 . . . . 0.0 107.455 -174.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -71.24 -50.09 36.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.268 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.523 ' HB3' HD13 ' A' ' 53' ' ' LEU . 52.5 t30 -123.73 150.96 43.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.964 0.411 . . . . 0.0 111.202 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 51.3 m -139.11 114.08 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.368 177.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.45 HG12 HG21 ' A' ' 9' ' ' VAL . 19.4 t -105.1 126.05 60.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.576 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.8 pt? -110.96 121.96 46.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.05 0.452 . . . . 0.0 111.066 -178.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 13' ' ' LYS . 10.4 mt -102.37 105.73 16.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.019 177.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -90.42 110.74 21.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.879 0.371 . . . . 0.0 110.209 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.55 -133.95 4.69 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.942 -0.646 . . . . 0.0 113.704 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.2 -23.89 64.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.6 tttm 73.89 -36.11 0.33 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.829 0.852 . . . . 0.0 111.764 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -124.71 93.28 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.039 0.447 . . . . 0.0 110.637 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 9.0 tp -139.95 19.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.169 0.985 . . . . 0.0 108.348 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.9 p -54.11 112.52 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.339 -173.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -134.32 13.04 3.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.057 174.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.3 t -89.83 135.56 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.542 -174.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -115.43 153.88 30.27 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.521 ' HD1' ' HE1' ' A' ' 122' ' ' PHE . 55.8 t80 -69.8 88.82 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.379 0.609 . . . . 0.0 110.28 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 m -125.29 156.91 37.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.489 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' A' ' 74' ' ' LYS . 48.0 mtmt -132.99 87.82 2.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -136.08 113.85 11.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.012 0.434 . . . . 0.0 110.492 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' HG3' ' HD1' ' A' ' 128' ' ' PHE . 20.3 ttt180 -81.37 -27.21 34.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.946 -178.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -68.02 -44.61 76.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.113 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 103' ' ' ALA . 44.2 tp -59.83 -41.25 90.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.488 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.3 mt -60.0 -48.89 86.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -53.63 -48.27 69.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.413 0.625 . . . . 0.0 110.536 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 85' ' ' LYS . 20.8 m -65.02 -30.75 71.75 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.992 -177.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.2 m -72.8 -45.36 58.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.544 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -58.97 -42.9 91.05 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.016 0.436 . . . . 0.0 110.265 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.23 -42.84 93.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.406 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 81' ' ' THR . 35.3 ttmt -59.47 -37.92 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.129 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 96' ' ' TYR . 55.7 tp -67.31 -51.1 56.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.096 0.474 . . . . 0.0 110.719 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.75 -33.89 76.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.521 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -93.86 -58.7 2.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -84.48 -17.89 37.62 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -170.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 63.12 63.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.47 0.652 . . . . 0.0 110.486 -175.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.43 HG12 ' HA ' ' A' ' 86' ' ' LEU . 35.2 pt -79.69 145.76 8.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.15 171.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -63.97 148.95 48.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.577 0.227 . . . . 0.0 110.845 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.49 ' HD2' ' HG3' ' A' ' 20' ' ' ARG . 47.9 t80 -55.82 -32.81 63.88 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.97 0.414 . . . . 0.0 111.337 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.425 ' HA ' HH21 ' A' ' 97' ' ' ARG . 63.8 tt0 -59.56 -50.56 73.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.608 174.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.25 -34.54 78.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.663 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.464 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 52.0 t80 -59.03 -48.84 80.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.433 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.425 HH21 ' HA ' ' A' ' 94' ' ' GLN . 66.2 mtm180 -69.75 -29.46 66.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.385 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -41.06 95.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.391 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -38.04 75.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.381 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.32 -37.65 87.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.3 78.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.637 176.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -70.06 -29.57 66.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.415 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.485 ' HB3' HD21 ' A' ' 78' ' ' LEU . . . -81.46 -11.34 59.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.505 -178.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 97.14 20.72 22.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.888 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.9 t -86.1 121.02 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.018 0.437 . . . . 0.0 111.169 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -110.43 -26.28 9.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.875 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.849 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 9.4 mpt_? -109.75 110.98 22.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.321 -178.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.783 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 7.4 t-105 -96.31 90.39 5.43 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 169.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 118' ' ' TYR . 46.9 t -106.47 99.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.063 0.458 . . . . 0.0 110.375 -176.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.735 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 52.1 m -95.54 110.7 22.74 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -102.66 111.86 24.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.513 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 47.3 mm -76.73 -33.7 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.386 -175.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.509 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 59.3 t-80 -62.14 -44.94 95.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.194 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -85.89 -11.78 52.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.915 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 58.4 44.88 17.57 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.487 0.492 . . . . 0.0 110.3 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -140.32 139.65 35.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.218 -175.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.552 ' HG2' HG21 ' A' ' 110' ' ' THR . 68.4 mtm180 -105.34 110.16 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.617 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.552 ' HB2' ' HB ' ' A' ' 109' ' ' VAL . 70.1 m-85 -92.45 129.07 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.671 -176.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -110.59 105.33 14.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.214 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.849 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 74.0 m-85 -106.27 150.52 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.365 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.2 t -88.05 -178.73 6.05 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.521 ' HE1' ' HD1' ' A' ' 72' ' ' PHE . 34.5 p90 -67.57 -19.64 65.29 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.24 0.543 . . . . 0.0 110.684 -176.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.525 ' O ' ' HB2' ' A' ' 124' ' ' ASN . 12.1 t70 -71.87 -18.08 62.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.975 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' A' ' 123' ' ' ASP . 89.1 m-20 76.95 15.46 1.91 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.782 -174.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 49.5 m -71.33 131.66 43.75 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.319 171.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 53.9 tp -77.22 105.76 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 110.151 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.1 mt -81.58 -44.55 17.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.373 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 130' ' ' GLU . 33.8 t80 -151.38 143.77 24.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.9 t -138.2 111.26 7.83 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 128' ' ' PHE . 7.3 pt-20 -106.89 129.02 54.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 -177.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 m -80.67 113.77 19.1 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.8 pt -63.82 114.96 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.556 0.693 . . . . 0.0 111.0 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 133' ' ' GLN . 8.8 mm-40 . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.126 -176.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.151 0.501 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.435 ' HA ' HD12 ' A' ' 11' ' ' ILE . 5.2 tp-100 -65.0 -26.44 68.29 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.371 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.426 HG11 HD22 ' A' ' 61' ' ' LEU . 79.1 t -59.18 -36.64 64.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.873 0.368 . . . . 0.0 110.481 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.91 -36.74 77.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.602 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.0 mp -67.87 -55.46 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.785 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' HB3' HD11 ' A' ' 61' ' ' LEU . 43.5 m-85 -67.85 -40.46 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 61' ' ' LEU . 54.5 tttm -64.23 -38.3 90.55 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.129 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 8.5 tt0 -62.82 -31.58 72.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.465 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 11' ' ' ILE . 66.9 mt -65.95 -55.94 17.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.754 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.604 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 69.5 m-85 -64.24 -45.38 88.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.151 -178.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.639 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -63.1 -26.46 68.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 111.296 179.572 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 21.3 ttmm -71.45 -49.46 41.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.883 0.373 . . . . 0.0 110.594 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 HG11 ' O ' ' A' ' 16' ' ' PHE . 9.6 p -67.13 -20.89 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.37 -174.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.639 ' HE ' ' HA ' ' A' ' 17' ' ' ASP . 81.0 mtt-85 -58.12 -34.23 70.0 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.935 0.398 . . . . 0.0 110.887 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -116.32 -38.77 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.588 -173.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.484 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 25.5 t70 -82.55 -28.82 30.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.278 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.7 mt 61.16 32.2 19.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.794 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.484 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 54.2 t-20 -80.61 90.42 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 174.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -78.08 -27.01 48.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.635 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.35 -55.1 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.373 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -70.01 -32.1 70.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.064 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.44 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 75.3 t80 -59.01 -54.08 51.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.617 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -67.02 -35.28 79.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.057 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 22.6 t -61.02 -44.95 96.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.751 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -73.01 -33.66 65.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 77.6 mt -62.22 -44.51 96.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 175.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -72.0 -20.3 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.201 -176.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 30' ' ' SER . 46.7 mtm180 -100.37 -8.53 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -131.4 -52.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.489 ' ND2' ' HD2' ' A' ' 40' ' ' TYR . 39.2 t30 -85.78 87.08 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.354 0.597 . . . . 0.0 109.992 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -74.76 -32.33 28.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.565 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.6 p -101.25 -83.26 0.45 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.128 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -164.77 152.16 11.4 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 122.048 -0.407 . . . . 0.0 111.622 -170.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.706 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 42.7 p90 -128.72 147.27 50.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.111 175.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.78 113.1 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.09 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.768 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.3 OUTLIER -99.82 109.59 21.99 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.01 -178.518 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -86.52 104.11 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.678 HD12 ' HB2' ' A' ' 108' ' ' TRP . 5.8 mp -63.87 -38.35 90.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.08 -173.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.762 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -68.06 -44.11 77.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 p -97.32 -5.52 36.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -175.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' HB3' ' H ' ' A' ' 64' ' ' LEU . 13.8 tp10 61.92 43.06 9.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.04 0.924 . . . . 0.0 109.378 -176.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -110.07 111.76 23.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.518 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -105.69 115.61 47.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.254 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -103.48 99.26 9.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.603 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.14 108.64 20.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.81 0.338 . . . . 0.0 111.048 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.71 109.24 20.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.86 -75.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.244 0.545 . . . . 0.0 111.584 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -146.66 -70.89 0.24 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -145.11 10.02 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.801 174.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.85 -73.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.5 -175.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -157.69 178.02 10.73 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.973 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.0 m -113.99 111.97 22.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.226 175.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.16 109.91 17.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.68 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.5 pt? -98.26 111.51 23.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.334 0.587 . . . . 0.0 111.072 -178.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 13' ' ' LYS . 19.4 mt -98.88 106.12 18.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.51 178.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -102.98 98.82 8.72 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.34 0.591 . . . . 0.0 110.663 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.0 -48.56 6.46 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.847 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.405 ' H ' ' HB3' ' A' ' 47' ' ' GLU . 13.4 tp 56.38 28.96 14.32 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.2 0.6 . . . . 0.0 111.993 177.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -90.7 94.2 9.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.72 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 t30 70.45 100.13 0.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.001 0.813 . . . . 0.0 111.023 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 3.3 mp -73.51 119.35 20.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.203 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.762 HG12 ' HA ' ' A' ' 45' ' ' ALA . 8.3 p -85.41 152.56 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.017 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -93.01 108.49 20.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.052 0.453 . . . . 0.0 111.08 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.521 HG13 ' HB2' ' A' ' 106' ' ' PHE . 62.0 t -87.59 114.58 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 174.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -95.69 157.72 15.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.487 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -83.19 65.17 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.417 0.627 . . . . 0.0 109.893 174.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.1 m -144.08 91.92 2.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.013 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 103' ' ' ALA . 56.2 pttt -91.9 125.57 36.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.215 -170.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -146.7 130.85 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.71 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -79.24 -28.65 42.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.224 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -68.34 -37.04 80.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.295 -173.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.519 HD23 ' HB1' ' A' ' 103' ' ' ALA . 43.2 tp -62.21 -48.84 78.23 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.72 -47.68 85.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.326 0.584 . . . . 0.0 110.172 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.34 -54.8 41.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.948 178.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.5 m -61.07 -39.48 90.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.5 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.454 HG21 ' HB2' ' A' ' 99' ' ' ASN . 26.1 m -67.72 -34.31 76.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.735 0.303 . . . . 0.0 110.923 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.6 m -67.32 -39.4 85.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.45 . . . . 0.0 110.079 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -67.72 -37.48 82.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.332 175.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -62.56 -44.09 97.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.959 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.546 ' HA ' HG12 ' A' ' 91' ' ' ILE . 47.0 tp -64.25 -44.58 91.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.774 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -68.08 -48.0 66.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.46 -177.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.3 m -79.41 -46.49 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -173.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -100.4 -7.37 24.43 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.679 -172.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 73.4 -46.2 0.63 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.455 0.702 . . . . 0.0 111.429 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.546 HG12 ' HA ' ' A' ' 86' ' ' LEU . 36.0 pt 39.39 -131.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.124 0.97 . . . . 0.0 112.483 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.1 m -145.39 151.12 37.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 47.0 t80 -56.9 -31.63 65.09 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.799 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 2.4 mp0 -59.47 -52.61 64.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.182 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -56.17 -44.02 78.92 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.321 0.388 . . . . 0.0 111.501 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.4 ' HD1' HG23 ' A' ' 82' ' ' THR . 37.5 t80 -56.71 -42.34 78.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.407 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HD3' ' CE2' ' A' ' 93' ' ' PHE . 49.4 mtm180 -77.0 -34.84 57.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.576 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 17.5 mmt85 -59.47 -43.16 93.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.213 0.53 . . . . 0.0 110.557 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.454 ' HB2' HG21 ' A' ' 82' ' ' THR . 6.9 m-20 -72.77 -35.39 67.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.205 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.38 -47.19 83.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.329 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.78 71.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.215 0.531 . . . . 0.0 110.427 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -71.61 -21.07 61.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.484 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.519 ' HB1' HD23 ' A' ' 78' ' ' LEU . . . -96.26 0.71 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 121' ' ' THR . . . 100.34 6.5 53.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.287 176.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.3 t -78.36 104.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.491 . . . . 0.0 110.506 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.521 ' HB2' HG13 ' A' ' 70' ' ' VAL . 87.5 t80 -104.18 -30.35 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.681 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 70.6 mtp85 -116.48 99.11 6.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.153 -178.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.768 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.4 t90 -91.78 94.34 9.3 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 175.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 41.6 t -103.58 100.38 10.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.823 0.344 . . . . 0.0 110.57 -178.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.706 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 36.8 m -90.76 118.34 30.1 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -101.82 104.13 14.87 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.114 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.5 mm -70.97 -32.5 48.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.354 -176.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.15 -33.82 75.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.048 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -94.95 -15.05 23.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.62 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.526 ' HG3' HG13 ' A' ' 132' ' ' ILE . 0.0 OUTLIER 68.69 31.81 4.43 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.518 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -136.2 147.72 47.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.165 0.507 . . . . 0.0 111.803 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -95.56 135.17 37.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -116.67 110.96 19.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.834 0.349 . . . . 0.0 110.314 176.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -93.94 106.15 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.681 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 97.7 m-85 -101.68 138.54 38.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.237 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.568 ' HB ' HD12 ' A' ' 127' ' ' LEU . 1.6 t -69.83 172.24 7.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.121 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.95 -34.85 73.81 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.54 10.03 8.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.021 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 65.4 t30 61.6 85.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.796 0.838 . . . . 0.0 111.76 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 120' ' ' TYR . 22.9 t -157.36 142.12 16.71 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.483 HD12 ' HB ' ' A' ' 129' ' ' THR . 48.2 tp -72.38 99.31 2.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.992 0.425 . . . . 0.0 111.085 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.568 HD12 ' HB ' ' A' ' 121' ' ' THR . 33.9 mt -78.43 -45.92 21.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.344 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -149.4 141.13 23.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.056 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.483 ' HB ' HD12 ' A' ' 126' ' ' LEU . 15.3 t -135.0 142.59 46.47 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -141.8 142.33 33.2 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 m -92.32 125.27 36.91 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.328 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.526 HG13 ' HG3' ' A' ' 115' ' ' GLN . 12.5 pt -75.01 98.89 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.134 0.492 . . . . 0.0 110.428 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.058 -175.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.834 0.35 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.02 -27.15 68.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.03 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.17 -40.28 76.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.309 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.73 -41.85 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.186 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.8 mp -64.58 -49.28 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.587 178.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.41 ' CZ ' HD22 ' A' ' 53' ' ' LEU . 7.0 m-85 -64.58 -41.61 96.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 7.7 ttpp -71.04 -18.57 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.109 -0.637 . . . . 0.0 109.8 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -76.57 -39.47 52.58 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.74 ' HA ' ' HZ2' ' A' ' 27' ' ' TRP . 88.6 mt -58.77 -55.67 21.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.672 176.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -64.72 -30.18 71.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.195 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.6 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 5.6 t70 -74.26 -39.99 62.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.819 0.342 . . . . 0.0 110.376 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HB2' ' HZ3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -56.41 -50.28 72.09 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.244 178.704 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.48 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 13.0 p -74.43 -25.48 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -63.09 -41.59 99.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.586 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -102.37 -26.78 13.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -94.87 -25.44 16.59 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.811 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 92' ' ' THR . 53.2 mt 66.51 27.67 9.66 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.419 0.628 . . . . 0.0 111.085 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.48 ' OD1' ' HA ' ' A' ' 19' ' ' VAL . 16.8 p-10 -86.29 64.56 8.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.336 177.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -58.63 -24.43 61.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.258 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -40.82 77.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.415 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.74 ' HZ2' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -71.72 -35.49 70.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.367 0.603 . . . . 0.0 110.082 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -75.85 -43.54 45.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.046 -163.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -67.86 -31.17 70.8 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.255 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.524 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 20.4 t -76.82 -38.94 52.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -56.94 -52.17 66.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.652 176.231 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.88 -47.35 80.69 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.163 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' O ' HG23 ' A' ' 37' ' ' VAL . 78.7 tttt -60.85 -24.51 65.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 0.0 111.468 -174.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 30' ' ' SER . 75.9 mtp180 -75.08 -47.08 30.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.246 0.546 . . . . 0.0 110.848 177.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -100.77 -64.1 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.256 -173.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -87.22 80.19 8.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.327 0.584 . . . . 0.0 110.456 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.453 HG21 ' HD3' ' A' ' 54' ' ' LYS . 5.9 t -85.41 -1.57 7.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.999 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.503 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 14.5 t -103.11 -81.7 0.5 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -176.52 146.08 0.59 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.507 0.194 . . . . 0.0 110.848 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.614 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 27.1 p90 -118.83 134.19 55.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 172.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.489 HG21 HG22 ' A' ' 109' ' ' VAL . 55.6 mt -102.4 106.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.765 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.617 ' HB3' ' CD1' ' A' ' 108' ' ' TRP . 0.4 OUTLIER -95.82 118.86 33.27 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.817 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -92.94 104.89 17.08 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.573 ' HG ' ' NE1' ' A' ' 108' ' ' TRP . 9.7 mt -57.49 -47.32 82.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -173.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.562 ' HB2' ' HE1' ' A' ' 106' ' ' PHE . . . -72.18 -32.98 67.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -87.71 -15.51 36.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.839 0.352 . . . . 0.0 111.559 -176.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 61.62 19.76 10.71 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.612 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -109.88 133.07 53.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.479 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.3 t -113.91 121.85 66.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.324 -176.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -102.52 99.34 9.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.809 0.338 . . . . 0.0 110.092 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.525 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.7 mp -93.82 101.81 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.083 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' A' ' 38' ' ' SER . 22.6 t -88.95 107.05 17.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 60.9 mt -74.0 166.4 23.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.928 -177.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HD3' HG21 ' A' ' 37' ' ' VAL . 24.7 pttm -64.14 -22.44 66.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.047 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.461 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 66.4 t30 -93.22 22.94 4.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.262 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 9.7 t70 76.47 -36.75 0.27 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.66 174.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -55.21 126.81 26.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.035 0.445 . . . . 0.0 110.94 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 32.2 m -106.22 122.05 45.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.759 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.8 t -94.17 132.99 36.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.645 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 58.5 tp -112.75 109.27 18.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.761 0.315 . . . . 0.0 110.795 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.48 HD22 ' HB2' ' A' ' 13' ' ' LYS . 25.5 mt -98.75 158.18 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.508 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.512 ' HZ2' ' HB3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -125.37 126.03 44.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.876 176.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.78 -84.62 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.919 173.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.0 mt -123.59 -60.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.766 -0.255 . . . . 0.0 111.088 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 66' ' ' ASN . 21.8 pttm -161.2 -53.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.555 0.217 . . . . 0.0 111.504 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.465 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 7.7 t30 168.53 131.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -174.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 67' ' ' ILE . 9.4 tp -133.15 96.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 122.201 1.001 . . . . 0.0 110.601 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 p -85.71 28.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.764 0.792 . . . . 0.0 111.207 -174.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 m -81.61 -7.25 59.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.726 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.481 HG23 ' HB1' ' A' ' 101' ' ' ALA . 73.3 t -70.16 117.69 13.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.031 177.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.536 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 75.3 mmtt -91.87 158.55 16.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.506 -176.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -80.63 75.41 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.5 m -119.07 174.92 6.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.387 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -139.71 35.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.659 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.438 ' O ' HG13 ' A' ' 79' ' ' ILE . 2.6 m-20 -76.41 77.89 3.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.698 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -65.26 -32.87 74.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.627 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -66.07 -32.83 74.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.439 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.6 tp -72.02 -37.08 69.84 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 75' ' ' ASP . 67.6 mt -60.15 -48.24 88.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.997 174.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -55.2 -49.94 70.66 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.663 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.6 m -60.23 -40.92 91.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.06 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.418 HG22 ' HG ' ' A' ' 100' ' ' LEU . 52.4 m -65.2 -48.65 72.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.5 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.404 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 10.6 t -63.91 -41.82 97.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.077 0.465 . . . . 0.0 110.191 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -64.89 -39.14 93.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.443 ' HG2' HG22 ' A' ' 91' ' ' ILE . 35.0 ttpt -64.81 -36.74 85.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.687 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.543 ' HA ' HG12 ' A' ' 91' ' ' ILE . 56.9 tp -68.73 -48.18 64.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.987 0.422 . . . . 0.0 109.967 175.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -57.28 -32.69 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.461 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -92.78 -58.44 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.199 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -97.72 -2.4 41.33 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -168.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 56.77 51.3 11.1 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.668 0.27 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.543 HG12 ' HA ' ' A' ' 86' ' ' LEU . 36.4 pt -67.17 155.82 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 -177.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.511 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -61.93 157.39 18.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.124 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -60.53 -28.67 68.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.349 0.595 . . . . 0.0 109.49 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -59.37 -55.38 35.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.573 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.58 -43.77 89.56 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.2 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.404 ' HE1' ' HA ' ' A' ' 83' ' ' SER . 38.0 t80 -60.11 -56.76 17.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.789 -178.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 44' ' ' LEU . 33.2 ttt180 -64.55 -37.49 87.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.907 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -60.33 -49.33 78.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.813 0.34 . . . . 0.0 111.794 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -69.48 -32.1 70.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.993 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.418 ' HG ' HG22 ' A' ' 82' ' ' THR . 96.0 mt -67.51 -38.53 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.936 0.398 . . . . 0.0 110.594 177.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.481 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -61.94 -39.89 93.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.017 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -70.65 -25.16 62.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.786 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . . . -70.41 -13.81 62.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.48 -177.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 101.56 10.0 42.29 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.395 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.9 t -80.05 116.74 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.925 0.393 . . . . 0.0 110.098 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.562 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 86.0 t80 -100.89 -31.43 11.15 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.805 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 98.1 mtt180 -119.43 102.77 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.617 ' CD1' ' HB3' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -104.53 101.73 11.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.28 1.038 . . . . 0.0 108.573 168.249 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 41' ' ' ILE . 22.4 t -109.67 114.51 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.014 -1.448 . . . . 0.0 110.156 -172.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.614 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 17.6 m -96.54 104.09 16.04 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.09 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.43 ' OD1' HG12 ' A' ' 109' ' ' VAL . 3.9 m-20 -91.73 106.12 18.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.269 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.95 -35.26 68.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.503 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 51.4 t-80 -63.42 -33.72 76.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.079 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.01 -9.06 23.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.471 HE21 HG13 ' A' ' 132' ' ' ILE . 5.7 tp60 62.4 29.91 17.26 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.926 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -139.13 144.16 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.96 0.409 . . . . 0.0 111.384 -176.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.492 ' HB3' ' HB3' ' A' ' 130' ' ' GLU . 24.8 ttm-85 -101.74 112.94 25.7 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.401 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 80.4 m-85 -91.83 123.15 34.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.483 ' CZ ' ' HD2' ' A' ' 117' ' ' ARG . 95.1 m-85 -102.38 104.62 15.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.938 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.805 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 94.6 m-85 -106.33 141.12 38.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.402 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.551 ' HB ' HD11 ' A' ' 127' ' ' LEU . 15.0 t -79.11 179.38 7.4 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.79 -37.75 82.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.934 0.397 . . . . 0.0 110.78 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -87.56 42.09 1.02 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 49.84 21.94 0.77 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.692 1.197 . . . . 0.0 113.56 172.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.48 ' HB2' HG22 ' A' ' 121' ' ' THR . 16.0 m -95.25 132.4 40.26 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 122.199 -0.313 . . . . 0.0 110.576 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 66.0 tp -72.96 113.97 10.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.34 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.551 HD11 ' HB ' ' A' ' 121' ' ' THR . 91.1 mt -91.03 -61.3 1.7 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.144 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -133.52 148.0 51.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.85 0.357 . . . . 0.0 110.715 -174.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 21.7 m -123.55 109.83 14.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.69 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.492 ' HB3' ' HB3' ' A' ' 117' ' ' ARG . 33.8 tt0 -99.4 105.65 17.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.29 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.2 m -78.98 108.49 12.5 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.528 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.471 HG13 HE21 ' A' ' 115' ' ' GLN . 14.5 pt -80.01 81.59 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.522 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.954 -177.735 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.035 0.445 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' OE1' HG22 ' A' ' 59' ' ' VAL . 36.8 tt0 -51.99 -33.11 36.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.665 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.9 -39.57 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.477 ' HA ' ' HG2' ' A' ' 13' ' ' LYS . 92.5 t -65.52 -43.38 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.146 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.528 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.1 mp -57.88 -51.97 63.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.295 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.514 ' HB2' HD23 ' A' ' 61' ' ' LEU . 56.0 m-85 -68.79 -44.1 74.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.412 . . . . 0.0 112.029 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HA ' HD13 ' A' ' 61' ' ' LEU . 54.2 pttt -65.6 -30.74 71.51 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.594 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.29 -32.33 68.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.581 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 11' ' ' ILE . 72.4 mt -62.46 -48.32 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.037 0.446 . . . . 0.0 110.177 176.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -70.58 -30.21 66.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.832 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.467 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 29.6 t70 -67.65 -39.32 84.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.121 0.486 . . . . 0.0 110.811 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 18' ' ' LYS . 28.8 mmmt -67.57 -44.49 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.309 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.85 -27.86 31.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.845 -175.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.538 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 39.2 ptt180 -79.17 -17.84 54.19 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.171 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -109.28 -44.72 3.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.494 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.32 -20.28 19.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.303 -174.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt 62.38 33.14 16.54 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.483 0.49 . . . . 0.0 111.24 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -83.51 77.75 9.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.684 0.754 . . . . 0.0 110.348 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -66.89 -31.05 71.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.054 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -61.45 -49.5 76.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.528 0.204 . . . . 0.0 110.949 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -69.69 -31.01 68.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.223 0.535 . . . . 0.0 110.197 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.592 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.5 t80 -67.59 -51.56 48.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.402 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -60.19 -43.13 96.16 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.675 0.274 . . . . 0.0 111.702 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.55 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 6.3 p -65.68 -40.06 91.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.269 -176.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -70.9 -30.68 67.09 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.449 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 83.3 mt -63.24 -45.83 89.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 175.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.532 ' HA ' HG21 ' A' ' 112' ' ' ILE . 2.0 tmtp? -64.74 -30.36 71.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 -178.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 30' ' ' SER . 47.2 mtp180 -75.62 -31.71 59.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.975 -177.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -121.71 -48.31 2.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -170.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -81.92 36.31 0.45 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.446 0.298 . . . . 0.0 110.903 -175.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.597 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 17.7 t -51.33 -37.74 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.134 -172.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.521 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 39.4 m -77.35 -81.26 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.556 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -172.79 149.57 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.461 0.172 . . . . 0.0 110.575 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.622 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 52.5 p90 -118.13 137.19 53.12 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 63.6 mt -104.01 109.78 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.282 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.664 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.2 t80 -100.62 125.85 47.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.929 -177.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.407 ' HD2' ' HB2' ' A' ' 48' ' ' ASN . 25.6 m-85 -99.07 112.58 24.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.2 mt -71.03 -3.31 18.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.213 -174.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.87 -61.01 1.72 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.737 0.303 . . . . 0.0 111.481 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 p -94.53 -6.4 43.84 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -174.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.65 ' HG3' ' HH ' ' A' ' 42' ' ' TYR . 33.1 tt0 64.61 33.3 10.82 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.961 0.886 . . . . 0.0 109.438 -177.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' HB2' ' HD2' ' A' ' 43' ' ' TYR . 11.2 m120 -96.16 138.45 33.75 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 t -129.71 128.76 65.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.832 0.349 . . . . 0.0 110.952 -176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.495 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 40.6 m-70 -103.01 99.34 9.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.029 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.537 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.3 mp -90.69 97.27 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.902 0.382 . . . . 0.0 110.081 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.521 ' O ' ' HB2' ' A' ' 38' ' ' SER . 20.8 t -82.74 113.93 22.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.0 mt -71.13 170.38 13.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.146 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.597 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 8.7 ttpp -84.05 13.23 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 64.4 t30 -138.15 48.56 1.97 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.278 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.442 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 7.3 t70 78.23 -45.08 0.41 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 167.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.65 144.02 54.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.893 0.378 . . . . 0.0 111.453 -176.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.7 m -122.97 129.53 51.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.537 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 19.1 t -93.47 119.17 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.016 178.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 tp -100.83 109.2 21.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.091 0.472 . . . . 0.0 111.129 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 13' ' ' LYS . 74.5 mt -93.18 142.6 27.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.973 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -129.29 101.17 5.87 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.315 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.59 -61.44 3.85 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 168.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 tp 59.59 29.17 18.71 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.093 0.557 . . . . 0.0 111.692 169.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -99.45 12.63 35.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 64.77 98.37 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.018 177.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.629 HD12 ' HB2' ' A' ' 47' ' ' GLU . 3.0 mp -108.23 -55.8 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 172.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.2 t 42.62 66.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.462 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.9 m -105.35 3.28 29.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.046 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 44.2 t -76.33 122.92 31.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.084 -175.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.462 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 65.8 mmtt -104.27 159.56 15.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.012 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -79.63 78.62 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.6 m -141.55 177.58 8.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.623 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -149.82 32.25 0.7 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.618 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.66 131.08 34.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.554 -172.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -90.83 -16.22 28.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.906 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -67.71 -49.6 61.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.073 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.4 tp -63.22 -32.23 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.616 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.61 -52.84 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.211 0.529 . . . . 0.0 109.813 174.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.8 -37.57 84.86 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.018 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 m -65.26 -45.11 85.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.695 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -69.08 -31.91 70.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.136 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -62.77 -47.64 82.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.076 0.465 . . . . 0.0 109.894 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -68.1 -30.3 69.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.825 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -61.0 -48.47 81.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.117 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.494 HD11 ' O ' ' A' ' 90' ' ' GLU . 26.0 tp -62.92 -38.68 91.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.423 177.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -67.42 -47.46 70.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.009 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.5 t -82.5 -51.42 7.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.922 -174.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.405 ' HD2' ' HA ' ' A' ' 89' ' ' ARG . 9.0 mmm180 -96.6 -12.38 24.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -172.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.494 ' O ' HD11 ' A' ' 86' ' ' LEU . 36.6 tt0 72.48 -51.23 0.7 Allowed 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.756 0.66 . . . . 0.0 111.461 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.4 pt 46.79 -164.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.649 1.18 . . . . 0.0 112.767 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.0 m -105.42 147.27 28.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.891 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.538 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 66.2 t80 -56.94 -34.14 67.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.209 0.528 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.519 ' HG3' HH21 ' A' ' 97' ' ' ARG . 59.3 tt0 -60.01 -44.24 94.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.791 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -71.34 -35.6 71.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.49 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -56.67 -50.03 73.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.311 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.519 HH21 ' HG3' ' A' ' 94' ' ' GLN . 72.1 mtm180 -60.06 -42.07 93.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 60.8 mtp180 -53.87 -57.98 8.93 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.037 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -72.91 -23.57 60.72 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -172.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.72 -40.81 76.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.085 0.469 . . . . 0.0 109.908 173.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -68.31 -33.42 74.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 177.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 74.6 mmtt -62.85 -22.72 66.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.066 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.34 -11.65 59.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 109.33 3.11 31.2 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.777 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.23 121.45 33.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.027 0.441 . . . . 0.0 110.385 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.574 ' HB3' ' HA ' ' A' ' 122' ' ' PHE . 69.0 t80 -118.21 -27.31 6.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.901 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 1.051 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 2.3 tpp180 -109.18 95.44 5.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.263 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.664 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.1 t90 -88.9 102.94 15.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.46 HG23 ' HG3' ' A' ' 107' ' ' ARG . 66.5 t -117.2 111.98 37.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.771 0.32 . . . . 0.0 110.587 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.622 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 29.1 m -108.6 113.18 25.96 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.071 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -89.24 105.7 17.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.532 HG21 ' HA ' ' A' ' 33' ' ' LYS . 49.8 mm -73.87 -28.3 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.503 -175.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 16.4 t-80 -66.8 -34.26 77.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.225 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -96.39 -7.44 35.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.754 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 55.12 43.64 29.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.479 0.657 . . . . 0.0 109.332 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.452 ' HE2' HG21 ' A' ' 129' ' ' THR . 75.1 tttt -131.43 121.58 24.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.651 -168.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -101.11 120.43 40.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.933 0.397 . . . . 0.0 110.571 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.415 ' OH ' ' HD3' ' A' ' 116' ' ' LYS . 84.4 m-85 -102.7 142.41 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.81 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.46 ' CD1' ' HB3' ' A' ' 128' ' ' PHE . 96.2 m-85 -117.87 112.86 20.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.237 175.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 1.051 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 95.9 m-85 -113.42 142.8 45.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.285 0.365 . . . . 0.0 110.68 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.455 ' HB ' HD12 ' A' ' 127' ' ' LEU . 15.3 t -72.07 -179.02 2.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.502 175.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.574 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 35.1 p90 -60.32 -29.72 69.05 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -87.81 2.98 49.96 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.316 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.437 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 5.1 t30 66.14 71.7 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.526 -177.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 120' ' ' TYR . 15.1 m -131.78 139.42 48.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.782 175.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.416 HD12 ' OG1' ' A' ' 129' ' ' THR . 29.6 tp -71.14 115.23 10.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.117 0.485 . . . . 0.0 111.291 -173.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.455 HD12 ' HB ' ' A' ' 121' ' ' THR . 94.0 mt -101.49 -46.77 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.708 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.46 ' HB3' ' CD1' ' A' ' 119' ' ' TYR . 20.9 t80 -141.95 149.03 39.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.452 HG21 ' HE2' ' A' ' 116' ' ' LYS . 9.4 m -145.11 117.85 8.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.696 0.284 . . . . 0.0 110.273 177.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -132.01 134.59 45.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 70.3 m -80.13 127.58 32.49 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.5 pt -82.47 95.87 3.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.342 0.592 . . . . 0.0 111.543 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.279 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.134 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.556 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 21.8 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.944 0.402 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -65.47 -26.91 68.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.584 -176.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.556 ' HB ' ' OD2' ' A' ' 7' ' ' ASP . 72.2 t -61.15 -37.58 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.468 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 7' ' ' ASP . 58.3 t -62.39 -46.14 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.631 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.2 mp -58.2 -51.51 70.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.711 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -60.83 -47.32 86.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.251 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 22.0 ttpp -60.21 -44.57 95.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.759 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -59.66 -36.65 76.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.637 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 11' ' ' ILE . 72.7 mt -60.2 -46.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 109.954 176.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.594 ' HA ' HG12 ' A' ' 19' ' ' VAL . 75.5 m-85 -69.62 -40.18 76.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.219 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.512 ' OD2' ' HG2' ' A' ' 13' ' ' LYS . 6.0 m-20 -54.81 -41.87 71.17 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.95 0.405 . . . . 0.0 110.966 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -76.24 -51.16 12.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.863 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -61.5 -27.24 41.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 16' ' ' PHE . 19.3 mtm180 -58.16 -31.67 67.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.67 0.271 . . . . 0.0 111.614 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -117.9 -26.25 6.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.011 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.32 -40.75 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 92' ' ' THR . 64.3 mt 71.48 13.79 6.42 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -77.54 124.36 27.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.079 174.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -101.54 -21.08 14.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -66.18 -52.78 44.83 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.75 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -68.45 -36.46 79.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.593 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 56.4 t80 -58.55 -58.98 6.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.87 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -68.36 -30.78 69.8 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 34' ' ' ARG . 24.0 t -62.78 -51.24 67.87 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -69.39 -26.88 64.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.82 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 29.9 mt -59.34 -58.81 6.97 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.482 174.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -69.63 -20.24 63.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.447 . . . . 0.0 110.649 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 30' ' ' SER . 29.7 ttp85 -89.9 -5.8 56.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.85 0.357 . . . . 0.0 111.382 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -130.63 -58.32 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.523 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' A' ' 40' ' ' TYR . 33.1 t30 -83.56 90.28 7.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.31 0.576 . . . . 0.0 109.896 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.75 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 13.5 t -86.3 -5.82 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.607 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.84 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 52.5 m -117.01 -91.74 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.722 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 9.8 p-80 -161.25 144.41 12.69 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.749 0.309 . . . . 0.0 111.812 -175.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.488 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 50.0 p90 -117.64 136.3 53.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 173.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.518 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 48.8 mt -101.81 103.34 14.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.827 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.941 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -93.01 117.47 30.1 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.89 -176.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -97.69 106.44 18.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.715 0.293 . . . . 0.0 110.953 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' H ' HD12 ' A' ' 44' ' ' LEU . 5.7 mp -69.09 -8.83 48.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 0.0 110.842 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.407 ' HA ' HG23 ' A' ' 70' ' ' VAL . . . -76.67 -28.88 56.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.353 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.58 HG23 HG12 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -131.3 -1.18 4.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.596 -175.862 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' A' ' 47' ' ' GLU . 2.9 tp10 61.11 23.16 13.38 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.784 0.802 . . . . 0.0 109.564 -173.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -99.62 138.62 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.189 -179.614 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.7 t -124.41 128.61 73.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.165 -174.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.518 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 5.1 m80 -99.53 89.82 4.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.005 175.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 5.0 mp -85.19 98.7 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.857 0.361 . . . . 0.0 110.108 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 38' ' ' SER . 39.2 t -88.05 106.11 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.1 mt -70.37 -173.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.611 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.75 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 11.0 ttpp -47.27 -63.67 0.98 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.489 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -160.15 21.46 0.16 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.2 -73.91 0.44 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.489 -170.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -163.25 176.78 9.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.4 m -104.18 124.25 48.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.874 0.369 . . . . 0.0 110.172 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.574 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 21.9 t -95.41 127.19 47.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 60.7 tp -113.21 113.89 25.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.664 0.269 . . . . 0.0 110.47 -177.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.538 HD23 HG13 ' A' ' 9' ' ' VAL . 27.3 mt -96.78 146.67 24.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.156 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.016 175.927 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.649 HG22 HG23 ' A' ' 68' ' ' VAL . 40.0 mt . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 121.203 0.525 . . . . 0.0 111.683 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.649 HG23 HG22 ' A' ' 67' ' ' ILE . 37.7 t 66.71 69.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.467 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -115.79 10.42 15.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.751 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.533 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 6.3 t -115.34 147.34 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.882 -174.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 37.0 mtpt -118.47 139.87 50.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -77.94 76.18 4.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.354 0.597 . . . . 0.0 109.941 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.3 m -139.11 78.5 1.68 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.653 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.588 ' HE2' HD21 ' A' ' 127' ' ' LEU . 13.3 ptmm? -75.51 105.55 6.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.253 -171.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -132.44 134.91 45.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.907 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -84.03 -28.9 27.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.167 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.451 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 65.8 t-80 -74.3 -37.68 63.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.7 tp -59.06 -32.08 69.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.945 0.402 . . . . 0.0 110.305 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.44 -52.62 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.524 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -67.59 -31.37 71.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.705 -176.849 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.3 m -67.63 -36.03 80.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.126 0.488 . . . . 0.0 110.365 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.559 HG22 ' CD1' ' A' ' 96' ' ' TYR . 37.6 m -73.88 -38.42 64.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.411 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 11.6 p -69.92 -32.81 71.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.347 . . . . 0.0 110.42 177.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.67 -37.31 87.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.783 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.676 ' HE2' HG21 ' A' ' 91' ' ' ILE . 77.7 tttt -67.05 -40.24 87.08 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.262 0.554 . . . . 0.0 109.868 177.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 90' ' ' GLU . 32.4 tp -66.04 -37.79 86.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.427 177.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -57.75 -44.9 86.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.264 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.3 m -78.25 -70.26 0.5 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.507 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 4.1 mmp_? -100.34 -14.69 18.28 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -172.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' A' ' 86' ' ' LEU . 46.9 mt-10 70.26 -12.52 0.5 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.255 0.622 . . . . 0.0 111.981 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.676 HG21 ' HE2' ' A' ' 85' ' ' LYS . 6.5 pt 35.35 -103.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.538 1.135 . . . . 0.0 113.518 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.507 ' HA ' HD11 ' A' ' 23' ' ' LEU . 8.1 m -154.7 138.71 16.4 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.569 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 72.8 t80 -61.95 -30.93 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 111.372 -173.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 4.8 pt20 -67.66 -41.36 83.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.919 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.73 -38.16 76.75 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.973 0.416 . . . . 0.0 110.036 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.559 ' CD1' HG22 ' A' ' 82' ' ' THR . 69.0 t80 -52.47 -44.68 65.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.405 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 97' ' ' ARG . 46.6 mtm180 -79.7 -21.34 44.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.809 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 18.4 mmm180 -67.12 -43.83 81.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.11 -34.94 75.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.56 -38.89 90.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.362 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 70' ' ' VAL . . . -65.56 -30.05 70.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.188 0.518 . . . . 0.0 110.372 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -76.78 -15.24 59.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.114 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.566 ' O ' ' HA ' ' A' ' 74' ' ' LYS . . . -94.1 4.92 53.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.213 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 81.21 20.75 64.08 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.133 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.1 t -82.96 99.95 6.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.17 0.51 . . . . 0.0 110.264 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -93.85 -30.53 14.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.593 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.72 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 68.5 mtt180 -116.41 100.42 7.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.23 0.538 . . . . 0.0 111.703 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.941 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.4 t90 -86.93 92.49 9.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 172.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.422 HG22 HG23 ' A' ' 41' ' ' ILE . 56.7 t -105.1 97.39 5.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.055 0.455 . . . . 0.0 110.751 -175.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 82.5 m -92.98 104.76 16.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.045 0.45 . . . . 0.0 110.127 178.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.553 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 59.8 t30 -98.99 84.97 3.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.798 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 43.7 mm -59.24 -34.25 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.549 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.84 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 11.4 t-160 -59.31 -26.31 64.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.246 -177.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 115' ' ' GLN . 18.8 tt0 -114.62 -4.04 12.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.837 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.49 ' HA ' HD11 ' A' ' 132' ' ' ILE . 28.9 mm-40 74.48 21.87 2.22 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.372 0.669 . . . . 0.0 112.359 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -117.91 142.6 47.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.051 0.453 . . . . 0.0 111.615 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.512 ' HB2' HG23 ' A' ' 132' ' ' ILE . 25.2 ttp180 -111.03 107.6 17.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 169.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -95.75 136.58 35.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.217 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -112.33 110.3 20.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.489 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.72 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 93.1 m-85 -111.16 148.4 32.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.086 0.469 . . . . 0.0 111.123 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.6 t -84.84 178.45 7.61 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 170.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -62.65 -33.67 75.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.17 0.51 . . . . 0.0 110.729 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.14 24.83 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.64 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 53.67 16.58 1.01 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.234 1.414 . . . . 0.0 114.159 173.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.7 m -73.67 135.36 43.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.9 tp -69.92 116.3 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.588 HD21 ' HE2' ' A' ' 74' ' ' LYS . 94.5 mt -86.68 -48.24 8.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.019 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -165.26 167.13 18.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.539 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 t -155.93 154.12 30.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -148.11 160.66 42.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.448 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.7 m -81.55 135.32 35.58 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.512 HG23 ' HB2' ' A' ' 117' ' ' ARG . 1.3 pp -79.58 75.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -174.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.613 176.61 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 121.455 0.645 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.497 ' OE1' HG22 ' A' ' 59' ' ' VAL . 36.2 tt0 -61.45 -26.49 67.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.682 -175.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG13 HD23 ' A' ' 61' ' ' LEU . 77.9 t -62.69 -38.24 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.078 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -59.82 -56.64 16.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.179 -177.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 11' ' ' ILE . 3.9 mp -57.61 -51.07 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.132 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.606 ' HB3' HD11 ' A' ' 61' ' ' LEU . 40.4 m-85 -67.78 -40.45 84.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -64.14 -37.61 88.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -66.09 -29.28 69.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.367 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 11' ' ' ILE . 74.3 mt -63.8 -51.26 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.484 ' HA ' HG12 ' A' ' 19' ' ' VAL . 44.4 m-85 -66.64 -27.03 67.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.22 -48.58 64.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.234 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 7.9 mptt -75.91 -31.63 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.025 -175.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 16' ' ' PHE . 10.0 p -71.33 -24.44 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.935 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -73.1 -26.67 61.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.766 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -97.33 -49.78 4.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.185 0.517 . . . . 0.0 110.972 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 33.0 t70 -85.36 -23.62 27.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.553 -173.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt 64.86 27.16 12.9 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.125 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.495 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 52.1 t-20 -86.38 94.26 9.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -69.63 -32.69 71.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.343 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -61.97 -48.86 78.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.933 0.397 . . . . 0.0 110.433 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -64.58 -40.33 95.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.366 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -57.89 -51.56 69.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.008 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -68.6 -25.01 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.474 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.9 m -66.52 -43.83 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.631 0.253 . . . . 0.0 110.496 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -71.02 -31.16 67.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.683 0.277 . . . . 0.0 110.968 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.97 -39.35 93.35 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.49 -30.38 70.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.235 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -96.26 -6.64 37.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.727 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -130.85 -58.55 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.834 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.508 HD21 ' HA ' ' A' ' 39' ' ' HIS . 6.5 t30 -87.16 88.54 7.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.081 0.467 . . . . 0.0 110.508 -178.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.36 -30.32 15.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.249 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.457 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 22.9 t -95.1 -94.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.508 ' HA ' HD21 ' A' ' 36' ' ' ASN . 51.1 p-80 -164.35 141.86 6.73 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.676 0.274 . . . . 0.0 111.387 -173.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.622 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 42.9 p90 -107.38 139.46 41.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 55.2 mt -101.46 110.94 29.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.111 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.688 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 20.0 t80 -101.75 122.21 43.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.846 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -95.58 112.2 23.97 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 108' ' ' TRP . 7.0 mp -63.94 149.54 47.01 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.711 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.752 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 72.26 -53.45 0.69 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.956 0.785 . . . . 0.0 111.791 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 m -66.21 -28.74 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.861 0.362 . . . . 0.0 110.795 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 6.2 mm-40 69.01 13.08 8.76 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.919 175.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -83.95 135.38 34.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.087 0.47 . . . . 0.0 110.342 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 6.2 t -120.31 122.21 67.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.025 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.457 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 4.8 m80 -109.91 92.78 4.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.879 0.371 . . . . 0.0 110.108 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.512 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 56.9 mt -91.25 102.31 13.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.519 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 38' ' ' SER . 21.3 t -87.28 103.7 13.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 174.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.7 mt -51.93 -55.78 18.17 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.464 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' HB3' ' OD1' ' A' ' 56' ' ' ASP . 24.8 ttpp -148.94 -64.21 0.23 Allowed 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -167.59 19.21 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.816 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' OD1' ' HB3' ' A' ' 54' ' ' LYS . 1.3 m-20 -98.05 -73.35 0.62 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.83 -171.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -129.01 154.48 46.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.042 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 30.6 m -116.37 119.64 36.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.324 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.512 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 4.3 t -82.04 114.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.659 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 5.3 tt -100.37 113.33 25.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 12' ' ' PHE . 17.3 mt -117.57 164.57 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.436 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 25.4 ttmm . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 169.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.752 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 14.5 tt . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.549 HG12 ' H ' ' A' ' 70' ' ' VAL . 46.7 t 73.01 154.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 O-C-N 123.301 0.376 . . . . 0.0 110.429 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 31.1 t -93.84 -32.62 13.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.641 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 87.9 t 69.88 134.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.671 0.607 . . . . 0.0 110.913 -175.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -135.63 134.34 39.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.076 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -82.63 32.35 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -174.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -84.35 63.81 7.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.486 0.66 . . . . 0.0 109.273 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 103' ' ' ALA . 74.6 mttt -58.86 112.35 1.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.453 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -147.35 126.63 13.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.423 ' HG3' ' HD1' ' A' ' 128' ' ' PHE . 62.7 ttt-85 -70.0 -35.61 74.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.461 -177.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.58 -39.72 80.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.177 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.7 -34.69 76.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.73 0.3 . . . . 0.0 110.584 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.48 -46.27 96.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.22 -49.89 76.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.387 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -57.66 -44.5 85.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.31 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -67.22 -41.25 86.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -61.44 -43.29 99.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.395 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -72.88 -29.1 62.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.827 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -57.78 -47.45 82.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.135 0.493 . . . . 0.0 109.751 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.77 -49.15 55.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.095 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -67.36 -17.82 64.89 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.3 t -100.44 -58.29 1.93 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.144 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.69 -23.86 27.24 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -173.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 54.97 74.57 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.203 0.525 . . . . 0.0 110.098 -171.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.5 pt -79.13 -113.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.627 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.732 ' HB ' ' OE1' ' A' ' 95' ' ' GLU . 29.7 m -151.63 155.28 38.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -58.01 -33.27 68.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.93 0.492 . . . . 0.0 111.827 -173.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.38 -57.4 6.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.732 ' OE1' ' HB ' ' A' ' 92' ' ' THR . 23.5 mp0 -60.77 -35.66 76.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.825 -177.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -60.19 -45.01 94.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.529 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 97' ' ' ARG . 58.1 mtm180 -78.7 -23.56 45.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.856 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.458 HH11 ' HD2' ' A' ' 98' ' ' ARG . 60.7 mtt180 -63.5 -46.54 85.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.824 0.345 . . . . 0.0 110.349 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.9 -33.33 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.777 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.41 -44.25 88.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.482 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.641 ' HB1' ' HA ' ' A' ' 70' ' ' VAL . . . -68.18 -23.71 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -71.32 -22.84 61.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.41 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.651 ' O ' ' HA ' ' A' ' 74' ' ' LYS . . . -94.58 8.2 43.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.995 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.97 5.22 83.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.988 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.418 HG11 ' HD1' ' A' ' 119' ' ' TYR . 57.5 t -75.2 103.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.176 0.512 . . . . 0.0 110.711 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -106.79 -30.26 9.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.133 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.999 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 0.9 OUTLIER -106.23 104.14 13.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.478 -177.605 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.688 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.6 t90 -97.25 109.41 22.17 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.14 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.2 105.75 18.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.887 0.375 . . . . 0.0 111.081 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.622 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 57.9 m -92.35 108.95 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 66.3 t30 -100.95 93.71 5.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.001 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 45.0 mm -66.18 -25.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.108 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -58.02 -23.12 52.95 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.209 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 86.6 mt-10 -130.64 6.34 4.75 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.544 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 56.1 38.12 29.55 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.131 0.491 . . . . 0.0 111.157 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 59.3 mttp -131.79 138.78 48.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.645 -176.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.45 ' HG2' HG23 ' A' ' 110' ' ' THR . 74.5 mtm180 -104.57 114.46 28.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 173.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -95.76 120.04 35.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.615 -176.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.418 ' HD1' HG11 ' A' ' 105' ' ' VAL . 95.3 m-85 -97.08 106.5 18.85 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.537 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.999 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 96.3 m-85 -106.47 151.26 25.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.882 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 t -85.97 176.07 8.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -63.84 -19.88 65.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.22 0.534 . . . . 0.0 110.318 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.74 0.94 28.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.907 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 69.7 15.56 8.05 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.204 0.601 . . . . 0.0 111.399 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.5 m -88.56 136.9 32.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.008 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.409 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . 51.7 tp -88.14 119.81 28.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.858 0.361 . . . . 0.0 110.76 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.58 -45.08 7.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.423 ' HD1' ' HG3' ' A' ' 76' ' ' ARG . 20.1 t80 -139.45 133.11 30.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.55 -172.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 55.6 m -108.0 107.14 17.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.521 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -102.67 140.39 37.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.203 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.7 t -105.91 124.19 49.17 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.6 pt -83.14 82.23 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.528 0.68 . . . . 0.0 111.497 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.367 178.185 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 CA--C 1.51 -0.593 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.473 ' O ' ' HD1' ' A' ' 12' ' ' PHE . 35.6 tt0 -61.11 -20.22 62.38 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 172.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 HD23 ' A' ' 61' ' ' LEU . 22.1 t -67.94 -36.89 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.825 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.4 -40.6 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.805 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.8 mp -64.95 -53.69 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.816 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.62 ' HB3' HD11 ' A' ' 61' ' ' LEU . 54.1 m-85 -59.78 -49.47 77.6 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -177.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 61.5 tttm -62.28 -38.93 91.23 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.612 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -55.67 -38.48 69.68 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.506 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 55.7 mt -60.35 -50.35 80.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.365 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.514 ' HA ' HG12 ' A' ' 19' ' ' VAL . 82.6 m-85 -68.56 -36.35 78.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.628 -177.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.419 ' OD2' ' HG2' ' A' ' 13' ' ' LYS . 50.8 m-20 -59.04 -41.18 87.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 0.0 111.074 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -76.93 -44.38 31.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.368 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 16' ' ' PHE . 8.6 p -66.81 -25.28 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.603 0.239 . . . . 0.0 111.086 -177.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -52.7 -47.46 67.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.27 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -104.57 -44.34 4.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.654 -172.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD2' ' HB3' ' A' ' 24' ' ' ASN . 32.1 t70 -82.44 -28.28 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.355 -171.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.7 mt 65.13 33.65 9.27 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.366 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.401 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . 13.3 p-10 -79.79 84.94 5.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.749 0.785 . . . . 0.0 110.781 178.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 2.5 m-30 -70.47 -30.55 67.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.953 -175.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.93 -35.24 80.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.506 ' CZ3' ' HA ' ' A' ' 15' ' ' ILE . 43.1 t90 -83.85 -37.99 21.76 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 174.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 25' ' ' TYR . 46.6 t80 -53.67 -56.69 15.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.259 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -71.91 -27.44 62.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.646 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.7 t -64.62 -51.32 63.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -68.42 -38.41 81.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.294 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.434 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 32.7 mt -58.19 -47.57 83.03 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.537 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.578 ' HA ' HG21 ' A' ' 112' ' ' ILE . 33.1 ttpt -70.16 -22.83 62.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 0.0 111.059 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -91.5 -5.82 53.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.129 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 78.9 m-70 -130.51 -57.29 1.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.636 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -86.63 90.24 8.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.816 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.526 HG11 ' HE2' ' A' ' 54' ' ' LYS . 15.7 t -87.62 -7.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.786 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.7 t -110.49 -86.13 0.54 Allowed 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.78 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -173.44 151.0 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -175.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.61 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 40.9 p90 -126.28 144.71 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 41' ' ' ILE . 4.3 mp -107.05 111.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.802 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.825 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.3 t80 -96.74 117.04 30.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.241 178.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -90.34 116.31 28.2 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.24 170.74 13.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.781 -0.19 . . . . 0.0 110.673 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 72.04 -51.12 0.7 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.431 0.693 . . . . 0.0 111.791 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 p -91.63 -25.53 19.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.832 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 66.18 29.26 9.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.679 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -85.35 131.77 34.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.626 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.6 t -119.19 131.2 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.416 -176.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -114.88 105.34 12.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.605 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.457 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.5 mp -102.31 112.08 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.9 t -92.41 120.56 41.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 mt -77.28 -174.48 3.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.609 0.718 . . . . 0.0 112.302 -175.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HE2' HG11 ' A' ' 37' ' ' VAL . 39.7 ttmt -67.99 -27.94 67.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.651 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -133.01 68.62 1.5 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.186 0.517 . . . . 0.0 110.671 -174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t70 78.97 -51.48 0.45 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.719 -1.128 . . . . 0.0 113.535 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -52.91 130.46 33.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.174 0.511 . . . . 0.0 112.059 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.0 m -114.52 126.49 55.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.683 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.6 139.92 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.892 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.459 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 8.5 mp -118.26 115.23 24.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.813 0.339 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' ' 12' ' ' PHE . 20.0 mt -103.31 167.02 10.09 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 174.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.2 tttp . . . . . 0 C--N 1.321 -0.67 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.581 176.565 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.059 0.456 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.68 71.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.791 0.805 . . . . 0.0 109.64 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -126.6 18.92 7.39 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.001 177.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.581 HG22 ' HB1' ' A' ' 101' ' ' ALA . 39.4 t -75.33 115.21 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.648 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.446 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 31.2 mmmt -77.38 134.25 38.49 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 174.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -80.18 34.06 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.575 0.703 . . . . 0.0 110.763 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 71' ' ' LYS . 54.6 m -99.76 -164.37 1.12 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.116 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.612 ' HB2' HD21 ' A' ' 127' ' ' LEU . 21.4 pttm -158.2 101.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 111.211 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -137.07 148.25 46.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.877 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.565 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 11.7 ptm180 -100.32 -22.17 15.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.251 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -67.91 -41.48 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.68 0.276 . . . . 0.0 111.096 -172.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 28.4 tp -64.27 -27.62 69.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.024 0.44 . . . . 0.0 109.975 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 76' ' ' ARG . 51.0 mt -72.23 -50.09 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 174.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.579 ' HG2' ' CE1' ' A' ' 128' ' ' PHE . 38.1 mt-10 -58.14 -42.99 87.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.35 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.1 p -67.81 -37.45 82.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.053 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.462 HG21 ' HB2' ' A' ' 99' ' ' ASN . 67.1 m -73.1 -34.3 66.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.83 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 t -61.98 -47.35 85.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.33 0.586 . . . . 0.0 109.487 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.87 -34.98 78.52 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.149 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -67.73 -30.25 69.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.651 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 62.0 tp -74.17 -30.26 62.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.117 0.484 . . . . 0.0 110.259 177.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -76.62 -44.15 35.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.191 0.52 . . . . 0.0 110.331 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.5 t -76.42 -63.41 1.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.639 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -84.53 -30.37 25.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.194 -173.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 37.0 tt0 58.12 62.03 2.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.7 0.762 . . . . 0.0 110.621 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.3 pt -71.88 169.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.088 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.73 162.19 29.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -57.61 -41.91 82.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.275 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.52 ' HA ' ' HG2' ' A' ' 97' ' ' ARG . 4.8 pt20 -70.49 -24.91 62.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.651 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -34.99 34.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.228 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -62.89 -48.84 77.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.001 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' A' ' 94' ' ' GLN . 33.1 ptt180 -68.43 -24.51 64.74 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.775 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -59.77 -50.03 75.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.116 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.462 ' HB2' HG21 ' A' ' 82' ' ' THR . 44.5 m-80 -71.69 -31.72 67.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.414 -177.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.35 -39.03 88.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.75 0.31 . . . . 0.0 110.674 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.581 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -61.49 -36.02 79.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.403 0.621 . . . . 0.0 110.088 175.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -69.1 -21.87 64.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.732 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 78' ' ' LEU . . . -89.82 -8.46 52.02 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.98 0.419 . . . . 0.0 111.08 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 101.38 8.75 46.08 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.848 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.1 102.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.117 0.484 . . . . 0.0 110.361 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -105.64 -26.82 11.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.964 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.929 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 19.8 mmt180 -102.8 92.56 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.072 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.825 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.9 t90 -87.79 95.82 10.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.424 HG12 ' OD1' ' A' ' 111' ' ' ASN . 17.8 t -110.47 103.47 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.945 0.402 . . . . 0.0 110.665 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.61 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 28.0 m -96.6 112.65 24.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.874 0.369 . . . . 0.0 110.294 177.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.424 ' OD1' HG12 ' A' ' 109' ' ' VAL . 3.0 m-20 -97.89 108.27 20.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.068 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.578 HG21 ' HA ' ' A' ' 33' ' ' LYS . 49.5 mm -73.47 -31.12 31.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -64.6 -40.63 95.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.404 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -86.78 -10.82 52.68 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.161 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 62.89 32.6 15.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.827 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 61.7 mttp -143.23 150.36 39.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.171 0.51 . . . . 0.0 112.091 -173.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.537 ' HD3' ' OH ' ' A' ' 119' ' ' TYR . 95.3 mtt180 -95.83 114.22 25.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.705 173.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.41 119.88 39.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.991 0.424 . . . . 0.0 110.457 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.537 ' OH ' ' HD3' ' A' ' 117' ' ' ARG . 45.9 m-85 -107.22 109.33 21.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.945 0.402 . . . . 0.0 110.679 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.929 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 77.2 m-85 -105.18 144.48 31.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.709 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.666 ' HB ' HD11 ' A' ' 127' ' ' LEU . 5.6 t -77.71 174.01 11.43 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -61.84 -19.45 62.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.536 0.684 . . . . 0.0 109.831 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.551 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 31.7 t70 -78.81 2.17 20.81 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.403 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.551 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 1.7 t30 77.1 -9.86 1.45 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.24 0.543 . . . . 0.0 111.489 178.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.0 m -76.68 135.9 39.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.971 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.5 tp -75.75 127.39 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.424 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.666 HD11 ' HB ' ' A' ' 121' ' ' THR . 81.0 mt -101.24 -59.24 1.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 -177.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.579 ' CE1' ' HG2' ' A' ' 80' ' ' GLU . 57.0 t80 -138.53 157.32 46.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.392 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 31.9 m -144.16 108.5 4.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.686 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.413 ' HG3' ' HB2' ' A' ' 117' ' ' ARG . 8.4 pt-20 -105.76 128.58 53.79 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 18.9 p -86.39 141.36 29.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.897 0.38 . . . . 0.0 111.228 -175.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 40.2 pt -84.76 0.29 5.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.776 0.798 . . . . 0.0 109.21 174.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.977 173.555 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.462 ' OD1' HG23 ' A' ' 9' ' ' VAL . 9.9 t70 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.534 ' HA ' HD13 ' A' ' 11' ' ' ILE . 9.3 tt0 -68.99 -19.61 64.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.742 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.462 HG23 ' OD1' ' A' ' 7' ' ' ASP . 69.3 t -54.72 -39.74 48.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.72 174.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.9 t -59.74 -45.74 94.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.403 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.54 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -62.84 -53.38 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.733 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.576 ' HB3' HD11 ' A' ' 61' ' ' LEU . 23.0 m-85 -62.33 -48.67 78.82 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' HB2' HD22 ' A' ' 61' ' ' LEU . 24.0 ttpp -63.05 -32.52 73.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.363 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -69.5 -33.56 73.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 11' ' ' ILE . 82.7 mt -63.82 -54.06 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.199 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.508 ' HA ' HG12 ' A' ' 19' ' ' VAL . 75.6 m-85 -64.38 -32.74 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.235 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 9.1 t0 -60.6 -47.49 85.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.311 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -68.2 -53.29 25.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.267 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 16' ' ' PHE . 7.4 p -65.33 -19.13 25.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -175.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.599 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 14.4 ttp85 -55.27 -48.54 73.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.207 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -103.07 -37.9 7.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.389 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.41 -29.83 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.077 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 mt 61.04 32.27 19.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.932 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -77.74 70.43 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.68 0.753 . . . . 0.0 110.212 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 51.7 m-85 -59.82 -23.27 63.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.631 -178.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.434 ' CD ' ' H ' ' A' ' 26' ' ' GLN . 20.3 mp0 -60.98 -41.69 96.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.003 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.8 t90 -83.33 -31.45 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.134 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.4 t80 -60.5 -49.68 76.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.555 177.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -66.7 -33.9 76.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.063 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 p -72.6 -43.12 63.74 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.996 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -66.24 -33.05 74.87 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.648 0.261 . . . . 0.0 111.264 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 74.4 mt -60.55 -53.6 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.254 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HD3' HG23 ' A' ' 112' ' ' ILE . 34.4 mmtp -66.76 -14.99 63.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.612 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -97.33 -13.62 21.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -130.84 -61.29 0.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.386 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.43 ' O ' HG13 ' A' ' 112' ' ' ILE . 35.1 t30 -79.58 89.99 5.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.883 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.617 HG21 ' HD3' ' A' ' 54' ' ' LYS . 44.6 t -77.79 -31.45 17.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.477 -178.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.3 t -97.56 -79.26 0.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.691 -175.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -168.12 147.28 4.62 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.66 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.521 ' HB2' HG12 ' A' ' 51' ' ' ILE . 32.0 p90 -122.09 131.09 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 171.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.553 ' HB ' ' HB3' ' A' ' 50' ' ' HIS . 28.0 mt -106.77 108.62 25.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.227 -177.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.755 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -89.3 111.34 22.14 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -87.36 95.89 10.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' H ' HD12 ' A' ' 44' ' ' LEU . 6.9 mp -54.47 -49.52 69.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -170.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.469 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . . . -68.99 -9.53 52.84 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -115.82 -9.35 11.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.316 0.579 . . . . 0.0 109.804 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 51.91 31.31 8.28 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.307 -173.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.19 127.39 45.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.363 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.557 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 7.9 t -100.53 107.55 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.87 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 16.6 t-160 -91.37 85.49 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.294 -177.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.521 HG12 ' HB2' ' A' ' 40' ' ' TYR . 28.9 mt -93.54 111.85 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.304 -175.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.3 t -104.28 118.05 50.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.9 mt -78.48 -164.93 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.336 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.617 ' HD3' HG21 ' A' ' 37' ' ' VAL . 14.6 pttp -66.38 -70.35 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' H ' ' HG3' ' A' ' 54' ' ' LYS . 20.6 m120 -144.73 15.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.41 -72.24 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.667 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -167.22 -172.14 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.384 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 m -117.66 136.82 53.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.04 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -112.99 122.68 67.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.557 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 6.3 mp -115.52 99.14 7.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.654 0.264 . . . . 0.0 110.583 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 12' ' ' PHE . 23.8 mt -82.27 132.79 35.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.929 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt . . . . . 0 C--N 1.32 -0.676 0 CA-C-O 121.108 0.48 . . . . 0.0 110.275 177.688 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.0 mp . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 122.206 1.003 . . . . 0.0 109.668 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.3 p -108.66 19.45 5.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 122.695 1.236 . . . . 0.0 108.429 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 p -84.93 26.03 0.88 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.859 -1.519 . . . . 0.0 111.989 -172.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.89 113.03 4.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -95.14 159.33 15.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.687 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.628 ' HA ' ' HE1' ' A' ' 122' ' ' PHE . 11.9 p90 -75.81 77.06 2.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.139 0.971 . . . . 0.0 110.253 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.6 m -134.5 170.81 15.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.171 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -157.54 86.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.285 0.564 . . . . 0.0 110.902 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -133.98 137.38 44.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.461 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.452 ' HB2' ' HB2' ' A' ' 128' ' ' PHE . 35.8 ptt180 -100.81 -16.83 17.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.33 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -74.39 -35.57 63.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.534 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.479 HD21 ' HD3' ' A' ' 102' ' ' LYS . 48.1 tp -60.26 -43.3 96.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.826 0.346 . . . . 0.0 110.125 174.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.35 -48.16 90.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.157 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.43 -45.87 76.76 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.8 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -65.96 -38.51 88.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.979 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.562 HG22 ' CD1' ' A' ' 96' ' ' TYR . 31.2 m -70.31 -37.51 74.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.748 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 t -58.86 -47.72 83.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.329 0.585 . . . . 0.0 109.472 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -62.68 -37.42 86.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.888 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.64 -46.45 88.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.623 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 96' ' ' TYR . 4.4 mm? -67.64 -41.45 83.82 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.419 0.628 . . . . 0.0 109.905 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -58.03 -48.47 79.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.015 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.4 t -93.44 -38.75 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -91.32 -28.18 17.91 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -170.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 59.03 49.93 8.87 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.385 0.428 . . . . 0.0 110.755 -176.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.508 HG13 HD13 ' A' ' 86' ' ' LEU . 2.9 pt -72.49 -95.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.411 ' H ' HG13 ' A' ' 91' ' ' ILE . 41.7 m -155.84 142.48 18.74 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.599 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 55.9 t80 -63.59 -35.03 79.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.838 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 1.5 pp0? -69.38 -27.92 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.786 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.483 ' HB3' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -68.15 -41.24 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.517 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.562 ' CD1' HG22 ' A' ' 82' ' ' THR . 77.7 t80 -56.24 -47.39 78.59 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.196 174.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -60.55 -39.67 88.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.227 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 22.0 mtp180 -65.78 -39.56 91.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 111.437 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -68.35 -31.94 71.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -68.02 -40.74 82.87 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.492 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 -35.79 81.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.204 0.526 . . . . 0.0 110.283 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.479 ' HD3' HD21 ' A' ' 78' ' ' LEU . 77.7 tttt -65.02 -32.02 73.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.606 176.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.437 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -79.91 -14.21 58.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.114 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.97 11.12 35.29 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 81.1 t -76.37 122.43 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.11 0.481 . . . . 0.0 110.662 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 45' ' ' ALA . 30.4 t80 -121.55 -25.67 5.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.16 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.791 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 5.5 mpt_? -104.09 90.29 3.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.183 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.755 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 3.0 t90 -88.72 82.56 6.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 174.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.545 HG22 HG23 ' A' ' 41' ' ' ILE . 19.5 t -96.33 96.81 5.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.432 -176.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.46 HG23 ' HG2' ' A' ' 117' ' ' ARG . 93.9 m -90.1 102.98 15.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.251 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 114' ' ' GLU . 9.8 m120 -88.98 113.66 24.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.324 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.57 HG23 ' HD3' ' A' ' 33' ' ' LYS . 31.7 mm -76.78 -46.74 29.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.793 -177.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -63.91 -33.21 75.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.086 0.47 . . . . 0.0 110.315 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.582 ' HB2' ' HB3' ' A' ' 111' ' ' ASN . 8.3 mp0 -86.08 -12.53 49.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.804 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 63.08 30.32 16.19 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.666 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 54.3 mttp -144.11 141.84 30.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.207 0.527 . . . . 0.0 111.945 -177.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.461 ' NH2' ' HG3' ' A' ' 130' ' ' GLU . 85.3 mtm180 -98.43 108.79 21.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.415 173.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -94.99 113.97 25.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -100.14 105.45 17.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.891 0.377 . . . . 0.0 110.556 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.791 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 75.4 m-85 -103.48 148.03 26.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.201 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.514 ' HB ' HD11 ' A' ' 127' ' ' LEU . 10.0 t -76.51 179.74 5.73 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.628 ' HE1' ' HA ' ' A' ' 72' ' ' PHE . 47.5 p90 -67.47 -16.42 64.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.143 0.497 . . . . 0.0 110.594 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.483 ' H ' HG23 ' A' ' 121' ' ' THR . 33.1 t70 -83.46 -1.02 52.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.391 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 69.49 16.48 8.17 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.576 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.4 m -84.19 132.82 34.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.3 tp -73.23 106.94 5.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.514 HD11 ' HB ' ' A' ' 121' ' ' THR . 77.0 mt -80.94 -52.45 7.43 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.152 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.452 ' HB2' ' HB2' ' A' ' 76' ' ' ARG . 71.2 t80 -154.1 153.82 32.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.822 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.0 t -133.44 122.08 23.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.241 0.543 . . . . 0.0 109.982 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.461 ' HG3' ' NH2' ' A' ' 117' ' ' ARG . 8.0 tp10 -109.6 116.83 32.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.407 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 20.2 m -69.69 147.3 50.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.11 0.481 . . . . 0.0 111.604 -174.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 112' ' ' ILE . 20.4 pt -98.82 122.42 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 170.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -168.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -55.13 -36.51 65.83 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.28 0.363 . . . . 0.0 110.912 -177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.447 HG13 HD23 ' A' ' 61' ' ' LEU . 72.9 t -62.95 -38.58 82.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.024 0.44 . . . . 0.0 110.86 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.1 -41.75 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.747 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.0 mp -64.87 -52.32 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.634 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.429 ' HB3' HD11 ' A' ' 61' ' ' LEU . 40.1 m-85 -64.01 -41.19 97.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.53 -30.65 67.46 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.152 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -65.45 -32.42 74.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.048 0.451 . . . . 0.0 109.797 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.496 ' HA ' ' HZ2' ' A' ' 27' ' ' TRP . 75.8 mt -60.77 -48.9 86.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.165 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.47 ' HA ' HG12 ' A' ' 19' ' ' VAL . 78.8 m-85 -69.86 -31.4 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.015 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 8.8 t0 -65.28 -46.37 80.7 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.916 ' HE2' ' HA ' ' A' ' 18' ' ' LYS . 7.3 mmpt? -60.77 -44.79 96.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.678 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.57 ' O ' HD23 ' A' ' 23' ' ' LEU . 11.4 p -69.82 -32.58 52.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.713 -175.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.435 ' HD2' ' C ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -80.6 -19.62 45.08 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.815 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -94.21 -51.0 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.275 0.559 . . . . 0.0 110.877 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.623 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . 2.6 m-20 -91.37 -30.63 16.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.378 -171.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 19' ' ' VAL . 52.9 mt 66.65 10.28 7.31 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.623 ' OD1' ' HB3' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -79.44 84.72 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.239 -0.585 . . . . 0.0 109.891 172.251 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.456 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 97.7 m-85 -60.56 -25.19 65.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.046 -175.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -56.31 -31.33 63.6 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 110.548 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.496 ' HZ2' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -76.56 -39.47 52.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.072 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.532 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 76.9 t80 -77.91 -37.64 47.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.103 -167.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 25' ' ' TYR . 62.4 m-85 -70.31 -22.92 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 0.0 110.071 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 m -72.88 -37.65 67.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.541 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' HG3' HG23 ' A' ' 15' ' ' ILE . 62.9 mm-40 -61.45 -45.94 92.17 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.571 173.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 90.8 mt -59.5 -48.95 79.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.769 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -71.83 -21.93 61.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.773 0.321 . . . . 0.0 111.371 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 -93.34 -27.79 16.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -116.19 -48.55 2.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.168 -0.332 . . . . 0.0 111.618 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -82.15 80.24 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.365 0.603 . . . . 0.0 109.881 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -71.79 -33.32 47.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.268 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 13.0 t -97.07 -85.08 0.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.722 -176.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -174.66 142.47 0.72 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.679 0.276 . . . . 0.0 110.614 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.441 ' HB2' HG13 ' A' ' 51' ' ' ILE . 38.2 p90 -113.28 143.71 43.96 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.143 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.419 HG21 HH21 ' A' ' 107' ' ' ARG . 4.4 mp -111.99 114.34 46.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.68 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.823 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.8 t80 -92.89 133.5 36.03 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -109.11 99.79 9.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.28 0.562 . . . . 0.0 109.715 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 66.0 mt -69.94 -8.38 48.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.212 -172.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' A' ' 70' ' ' VAL . . . -82.48 -6.72 59.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.761 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 2.7 p -142.39 -3.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.331 0.395 . . . . 0.0 111.534 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HA ' ' HE1' ' A' ' 42' ' ' TYR . 13.1 mm-40 66.41 16.84 10.54 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.221 -171.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.79 155.11 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.911 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.47 142.38 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.602 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -120.16 99.85 6.84 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.8 mp -93.31 110.46 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.279 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 38' ' ' SER . 19.4 t -90.35 112.08 24.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 78.9 mt -71.21 -177.46 1.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.499 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -41.31 -58.02 1.97 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.622 0.576 . . . . 0.0 111.976 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -168.79 35.74 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -104.64 -72.82 0.69 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.996 -171.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -143.69 156.79 44.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.434 -174.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.488 HG23 HG22 ' A' ' 52' ' ' VAL . 24.5 m -107.81 94.98 5.37 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 172.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.8 t -72.91 117.13 16.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.696 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.716 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.4 pt? -99.59 109.14 21.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.594 0.711 . . . . 0.0 110.729 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.447 HD23 HG13 ' A' ' 9' ' ' VAL . 54.1 mt -93.46 133.2 36.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.721 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' A' ' 67' ' ' ILE . 8.9 tp . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 122.034 0.921 . . . . 0.0 111.709 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.51 102.48 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.808 0.813 . . . . 0.0 111.292 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.8 m -109.71 11.06 24.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.348 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.611 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 48.8 t -70.93 105.96 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.348 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -86.11 139.97 30.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.428 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.41 85.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.309 0.576 . . . . 0.0 110.048 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.462 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 73.9 m -153.66 168.62 25.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.801 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HE2' ' OD1' ' A' ' 123' ' ' ASP . 67.7 mttt -134.02 51.15 2.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -86.98 116.97 25.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.577 -171.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -88.36 -18.05 29.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.506 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -83.63 -33.83 25.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.847 0.356 . . . . 0.0 110.046 -176.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.2 tp -65.71 -35.55 81.07 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.07 -48.97 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.854 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.63 -48.61 74.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.697 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.4 m -60.65 -45.01 95.7 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.965 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.0 m -64.29 -43.84 93.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.876 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.6 t -59.44 -50.71 72.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.892 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -58.88 -44.92 91.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.858 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.778 ' HE2' HG21 ' A' ' 91' ' ' ILE . 87.4 tttt -60.56 -38.06 83.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.553 ' HA ' HG12 ' A' ' 91' ' ' ILE . 51.5 tp -72.4 -53.0 13.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 111.368 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -73.69 -23.56 59.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.891 -172.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.6 m -98.68 -47.87 5.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -99.7 4.45 45.53 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -173.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 74.11 -56.97 0.63 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.083 0.553 . . . . 0.0 112.337 173.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.778 HG21 ' HE2' ' A' ' 85' ' ' LYS . 35.3 pt 34.82 -124.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.266 1.026 . . . . 0.0 112.989 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -147.87 142.2 26.27 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.456 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 61.3 t80 -59.22 -29.12 67.28 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.304 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.55 -47.06 85.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.093 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -64.48 -37.65 88.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.063 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.49 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 71.3 t80 -54.29 -53.04 59.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.883 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.456 ' HD3' ' CE2' ' A' ' 93' ' ' PHE . 17.6 mtm180 -64.29 -37.82 88.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.0 0.428 . . . . 0.0 110.785 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -46.82 76.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.137 -175.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -69.53 -27.18 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.132 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 96' ' ' TYR . 79.2 mt -63.12 -45.25 92.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.288 175.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.611 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -61.81 -33.75 74.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.548 0.69 . . . . 0.0 110.189 176.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -69.18 -19.03 63.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.665 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.72 -16.92 27.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.79 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 117.77 2.72 16.66 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.655 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.25 116.52 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.235 0.541 . . . . 0.0 110.681 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.529 ' HB3' ' HA ' ' A' ' 122' ' ' PHE . 55.7 t80 -113.56 -26.83 8.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.437 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 1.008 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 53.1 mmm-85 -113.02 99.37 7.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.352 . . . . 0.0 110.962 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.823 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.2 t90 -91.94 101.6 14.17 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 174.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.5 t -110.85 108.09 24.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.44 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 58.8 m -104.08 105.78 16.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.68 176.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -102.59 115.58 30.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.1 mm -76.32 -23.82 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.435 -173.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -59.86 -30.8 69.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -112.73 -6.03 13.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.607 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 58.92 39.85 23.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.421 0.629 . . . . 0.0 110.341 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -119.61 143.28 47.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.012 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.406 ' HG2' ' OG1' ' A' ' 110' ' ' THR . 49.6 mtt180 -111.49 109.96 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.374 171.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -90.99 126.2 36.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.727 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -109.76 108.72 19.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.857 0.361 . . . . 0.0 110.352 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 1.008 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 63.3 m-85 -102.31 145.47 29.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.043 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.77 ' HB ' HD11 ' A' ' 127' ' ' LEU . 2.4 t -69.93 170.92 10.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.761 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.529 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 72.7 t80 -58.3 -37.12 74.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.42 -177.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.433 ' OD1' ' HE2' ' A' ' 74' ' ' LYS . 8.5 p-10 -83.72 5.8 23.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.201 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 69.95 92.24 0.09 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 111.809 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.6 t -167.55 143.91 4.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -74.61 118.95 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.958 -173.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.77 HD11 ' HB ' ' A' ' 121' ' ' THR . 83.3 mt -101.98 -56.08 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.456 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -135.26 154.25 51.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.06 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.2 m -138.25 103.24 4.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.007 0.432 . . . . 0.0 110.152 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -94.86 109.52 21.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.568 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.4 t -82.48 123.32 29.06 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.2 pt -74.77 75.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.942 0.877 . . . . 0.0 111.014 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-N 114.087 -1.415 . . . . 0.0 107.415 178.183 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -57.44 -31.87 66.34 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.499 HG13 ' HA ' ' A' ' 61' ' ' LEU . 58.3 t -59.62 -42.26 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.167 178.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.86 -46.17 97.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.257 -176.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 mp -61.19 -51.71 69.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.15 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.522 ' HB2' HD21 ' A' ' 61' ' ' LEU . 63.0 m-85 -67.1 -41.48 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.22 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 62.6 tttm -62.06 -38.17 87.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.3 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -60.02 -35.93 76.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.446 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.49 -45.64 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.977 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.541 ' HA ' HG12 ' A' ' 19' ' ' VAL . 84.6 m-85 -70.98 -37.59 72.72 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.146 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.555 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 10.2 m-20 -61.56 -39.15 90.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.02 0.438 . . . . 0.0 111.06 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -68.82 -52.38 30.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.067 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 16' ' ' PHE . 7.8 p -68.38 -22.83 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -171.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.619 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 34.9 ptt85 -71.66 -18.63 62.17 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.067 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -120.41 -44.54 2.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.05 0.452 . . . . 0.0 110.902 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.9 -34.51 71.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.709 -176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 92' ' ' THR . 91.9 mt 63.72 20.06 12.04 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.834 173.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -79.29 87.3 4.98 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.056 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 72.1 m-85 -72.21 -16.96 61.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.372 -177.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -59.58 -44.4 93.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.222 0.534 . . . . 0.0 109.878 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -79.95 -36.97 35.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.536 ' HB3' ' HA ' ' A' ' 25' ' ' TYR . 48.0 t80 -58.16 -57.11 14.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.367 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -71.17 -26.68 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.586 0.232 . . . . 0.0 111.215 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 38.5 t -63.31 -47.95 80.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 109.99 176.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -70.6 -36.07 73.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.937 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 73.9 mt -58.48 -44.72 89.45 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.326 176.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.486 ' HD2' ' O ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -72.45 -21.17 61.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -177.201 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 30' ' ' SER . 58.8 mtm180 -100.94 -4.47 27.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -131.02 -57.22 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.297 0.57 . . . . 0.0 110.803 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -83.21 80.22 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.936 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.455 ' HB ' ' HA ' ' A' ' 54' ' ' LYS . 45.1 t -74.96 -25.19 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 50.4 m -96.88 -82.21 0.41 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.389 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 111' ' ' ASN . 37.5 p-80 -179.8 155.21 0.62 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.655 -175.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.604 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 44.8 p90 -123.02 144.43 49.27 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.525 HG23 HG22 ' A' ' 109' ' ' VAL . 4.6 mp -112.0 116.57 52.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.367 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 1.015 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.2 t80 -100.14 114.04 27.12 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.821 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -94.08 107.93 19.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.803 0.335 . . . . 0.0 110.433 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.96 160.68 31.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.93 12.47 6.85 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.344 0.593 . . . . 0.0 110.817 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.7 m -145.45 -33.34 0.36 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.728 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.705 ' HG3' HD13 ' A' ' 67' ' ' ILE . 5.2 mm-40 71.89 19.64 4.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.41 174.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -90.97 113.36 25.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 11.3 t -110.9 113.77 45.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.96 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -104.15 102.71 12.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.745 0.307 . . . . 0.0 110.888 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.1 mp -92.05 116.16 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.183 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 38' ' ' SER . 39.8 t -94.32 111.97 26.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.4 mt -72.11 -164.57 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.375 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 0.4 OUTLIER -55.66 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.932 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -140.97 15.51 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.434 ' OD1' ' HB3' ' A' ' 54' ' ' LYS . 4.4 m-20 -85.04 -77.37 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.239 -1.346 . . . . 0.0 111.102 -169.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -159.56 173.7 15.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.67 0.272 . . . . 0.0 110.82 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.7 m -102.26 127.22 49.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.051 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.1 t -100.25 116.62 43.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.127 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.736 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.7 pt? -102.22 112.37 25.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.354 0.597 . . . . 0.0 110.718 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 12' ' ' PHE . 31.7 mt -98.36 149.83 22.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.068 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.3 pttt . . . . . 0 C--N 1.323 -0.566 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 170.33 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.705 HD13 ' HG3' ' A' ' 47' ' ' GLU . 4.3 mp . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 121.829 0.823 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 68' ' ' VAL . 7.7 p -79.12 82.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 122.189 0.995 . . . . 0.0 110.678 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -105.0 -1.54 25.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.792 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.1 t -85.41 129.36 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.736 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -110.93 147.27 35.0 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.22 84.07 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.152 0.501 . . . . 0.0 110.765 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.57 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 8.2 m -134.93 163.06 30.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.582 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -136.79 55.37 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.365 0.602 . . . . 0.0 109.512 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.535 ' OD1' ' HB3' ' A' ' 77' ' ' HIS . 27.6 t70 -108.55 102.5 11.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.797 -171.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.537 ' HA ' HD12 ' A' ' 79' ' ' ILE . 18.0 ttt-85 -66.4 -32.53 73.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.4 175.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.535 ' HB3' ' OD1' ' A' ' 75' ' ' ASP . 0.8 OUTLIER -50.99 -53.68 31.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.703 178.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 103' ' ' ALA . 40.1 tp -64.36 -35.94 82.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.486 0.184 . . . . 0.0 110.91 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 76' ' ' ARG . 67.8 mt -57.8 -55.27 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.007 0.432 . . . . 0.0 110.469 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.38 -46.37 86.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.261 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.2 m -59.01 -37.81 77.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.879 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.557 HG21 ' HB2' ' A' ' 99' ' ' ASN . 91.1 m -72.15 -38.98 69.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.247 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.446 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 17.5 t -62.14 -40.3 95.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.068 0.461 . . . . 0.0 109.858 176.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -64.93 -32.56 74.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.006 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.765 ' HD2' HD13 ' A' ' 91' ' ' ILE . 33.1 ttmt -65.37 -46.03 81.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.006 0.431 . . . . 0.0 110.256 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -67.43 -39.22 85.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.059 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.4 -20.81 64.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.904 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t -92.52 -59.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.363 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -100.31 -81.17 0.47 Allowed 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.301 -0.559 . . . . 0.0 112.216 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 170.92 -45.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.389 0.431 . . . . 0.0 111.17 -175.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.765 HD13 ' HD2' ' A' ' 85' ' ' LYS . 25.0 pt 37.2 -122.95 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.801 0.84 . . . . 0.0 112.525 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.466 ' HA ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -155.89 155.38 32.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.619 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 68.2 t80 -62.2 -34.76 77.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.98 0.419 . . . . 0.0 110.21 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -68.48 -40.77 80.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -61.81 -49.06 77.82 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.446 ' HE1' ' HA ' ' A' ' 83' ' ' SER . 52.2 t80 -56.38 -46.53 80.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.9 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -66.23 -38.98 89.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.38 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.9 ttm-85 -61.2 -46.18 91.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.443 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.557 ' HB2' HG21 ' A' ' 82' ' ' THR . 42.7 m-80 -66.96 -36.78 82.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 111.001 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.35 -49.05 79.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.047 0.451 . . . . 0.0 110.242 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.61 83.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.916 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.9 -27.27 64.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.224 0.535 . . . . 0.0 110.757 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.439 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -80.33 -9.42 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.687 178.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.57 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 105.8 8.03 35.23 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.695 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.97 101.59 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 0.0 110.43 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -98.84 -26.23 14.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.843 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.902 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 6.5 ttm180 -121.26 97.42 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.659 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 1.015 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.1 t90 -91.49 102.35 15.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.246 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 41' ' ' ILE . 31.0 t -113.32 107.69 23.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.002 0.429 . . . . 0.0 110.856 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.604 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 48.4 m -105.51 112.48 25.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.026 0.441 . . . . 0.0 110.434 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 39' ' ' HIS . 3.6 m-20 -96.75 109.49 22.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.462 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.2 mm -74.35 -31.27 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.705 176.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -67.07 -24.67 65.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.691 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -106.49 -8.14 17.21 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.706 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 54.1 40.49 31.69 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.971 0.415 . . . . 0.0 111.189 -173.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -141.93 141.54 32.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.234 0.54 . . . . 0.0 111.843 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.492 ' HG2' HG23 ' A' ' 110' ' ' THR . 60.8 mtm180 -101.81 112.55 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.773 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -98.55 128.65 44.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.279 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -113.51 110.71 20.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.902 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 82.8 m-85 -109.26 145.45 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.217 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.528 ' HB ' HD11 ' A' ' 127' ' ' LEU . 9.9 t -83.81 -179.77 7.37 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 171.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -62.33 -28.23 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.064 0.459 . . . . 0.0 110.251 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 29.4 t70 -69.39 -9.12 52.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.471 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 10.3 t30 76.16 4.37 3.72 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.767 0.794 . . . . 0.0 110.186 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -70.98 122.56 20.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.878 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 49.2 tp -71.78 110.74 6.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.927 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.528 HD11 ' HB ' ' A' ' 121' ' ' THR . 98.0 mt -90.91 -38.77 12.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.178 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 18.9 t80 -141.62 145.11 34.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.842 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.0 m -138.63 103.05 4.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.823 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 128' ' ' PHE . 18.7 tt0 -112.4 125.68 54.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.692 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.8 t -86.41 126.23 34.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 175.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.3 pt -76.5 90.23 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.549 0.69 . . . . 0.0 110.802 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.977 -178.258 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 CA--C 1.518 -0.254 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.65 -31.07 71.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.204 0.526 . . . . 0.0 110.592 -177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.19 -36.09 70.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.204 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.71 -46.8 93.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.222 -177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.533 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -62.66 -50.98 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.678 -178.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.593 ' HB3' HD11 ' A' ' 61' ' ' LEU . 23.6 m-85 -64.5 -46.08 84.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.802 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.507 ' HD2' ' O ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -63.62 -36.09 82.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.317 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.43 -29.5 69.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.351 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 11' ' ' ILE . 71.4 mt -61.85 -49.16 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.119 0.485 . . . . 0.0 109.704 176.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.482 ' HA ' HG12 ' A' ' 19' ' ' VAL . 95.9 m-85 -70.49 -33.55 71.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.529 177.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 7.2 t70 -64.87 -34.85 79.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.639 -178.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -49.99 17.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.573 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.1 p -66.5 -27.68 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.876 -174.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.501 ' HE ' ' HA ' ' A' ' 17' ' ' ASP . 46.3 ptt85 -72.29 -7.52 49.9 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.215 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -118.22 -54.12 2.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.19 -22.15 52.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.186 -173.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.2 mt 64.25 23.75 13.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 110.689 -175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -81.68 91.93 6.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.229 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.513 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 61.4 m-85 -80.64 -21.8 41.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -59.89 -52.55 64.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.063 0.459 . . . . 0.0 110.247 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -73.82 -33.39 64.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.293 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.522 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 36.9 t80 -58.96 -57.24 13.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -69.37 -26.9 64.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.32 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.599 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 24.4 t -58.5 -53.58 56.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.079 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' OE2' ' HD3' ' A' ' 34' ' ' ARG . 40.7 mm-40 -70.98 -33.33 70.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.426 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 46.3 mt -57.38 -51.3 69.97 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.558 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -70.29 -12.68 61.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.883 0.373 . . . . 0.0 111.232 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' A' ' 30' ' ' SER . 71.7 mtp180 -88.82 -23.28 22.86 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 122.126 -0.359 . . . . 0.0 111.469 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -124.34 -53.1 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.083 0.468 . . . . 0.0 110.608 -174.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -82.32 90.15 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.911 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.615 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 17.7 t -84.32 -8.4 11.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.552 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -118.59 -94.65 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.551 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -158.51 146.11 18.01 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 122.165 -0.334 . . . . 0.0 111.145 -172.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -120.14 141.92 49.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.893 0.377 . . . . 0.0 110.502 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.2 mt -106.43 106.9 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.85 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.995 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.4 t80 -93.42 107.92 19.68 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.941 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.548 ' HB2' ' HB3' ' A' ' 48' ' ' ASN . 96.3 m-85 -88.73 104.15 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 97' ' ' ARG . 5.9 mp -64.38 -27.07 68.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.47 -171.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.533 ' HB1' HG22 ' A' ' 68' ' ' VAL . . . -76.32 -10.21 59.23 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 m -138.33 -2.38 1.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.592 ' HG2' HD13 ' A' ' 67' ' ' ILE . 10.1 mm-40 55.46 34.78 23.72 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.865 0.841 . . . . 0.0 109.355 -169.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.548 ' HB3' ' HB2' ' A' ' 43' ' ' TYR . 2.8 t-20 -94.03 98.18 10.83 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.804 -176.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 t -98.17 123.89 50.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.594 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -106.88 96.48 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.31 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.561 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.4 mp -87.57 98.49 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.51 115.36 18.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.2 mt -72.46 179.66 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.42 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 83.4 tttt -68.11 -22.16 64.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.717 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -129.34 63.22 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.003 0.43 . . . . 0.0 111.297 -175.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t70 77.58 -50.04 0.52 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 165.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -58.55 140.7 53.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.057 0.456 . . . . 0.0 110.984 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.6 m -122.03 124.39 43.87 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.104 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.561 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 20.0 t -78.13 117.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 tt -102.2 107.38 18.43 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.593 HD11 ' HB3' ' A' ' 12' ' ' PHE . 51.6 mt -100.52 143.8 30.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.388 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.3 pttm . . . . . 0 C--N 1.318 -0.765 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 171.637 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.592 HD13 ' HG2' ' A' ' 47' ' ' GLU . 3.7 mp . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.533 HG22 ' HB1' ' A' ' 45' ' ' ALA . 46.8 t -75.05 86.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.425 -176.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.7 p -105.97 -3.85 21.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.106 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.75 133.83 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.266 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 21.7 mtpp -115.4 155.24 27.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.995 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -82.88 74.68 9.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.295 0.569 . . . . 0.0 109.88 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.43 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 50.5 m -133.39 166.16 23.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.549 -177.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -134.44 95.84 3.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.145 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -139.45 137.44 35.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.838 0.352 . . . . 0.0 110.148 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 76' ' ' ARG . 57.9 mtt85 -100.48 -25.54 14.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.587 -175.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 87.6 m-70 -84.51 -25.09 29.05 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.617 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.69 -35.66 81.76 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.46 -49.24 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.685 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.43 ' HB3' ' HA ' ' A' ' 77' ' ' HIS . 40.0 tt0 -56.02 -50.83 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.763 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 p -63.64 -40.78 97.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.667 0.27 . . . . 0.0 111.707 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.0 m -68.62 -36.18 78.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.79 0.328 . . . . 0.0 110.546 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t -67.74 -38.45 83.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -64.57 -37.22 86.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.105 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -66.92 -33.49 75.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.34 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.12 -40.32 94.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.046 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -74.35 -39.52 62.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.273 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.8 m -74.44 -50.9 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.39 -177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.636 ' HD2' ' HG2' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -100.49 -78.45 0.52 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.515 -0.474 . . . . 0.0 109.832 -178.804 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.636 ' HG2' ' HD2' ' A' ' 89' ' ' ARG . 12.7 pt-20 152.6 -31.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.631 1.173 . . . . 0.0 108.582 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.3 pt 37.83 -130.43 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.312 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.1 m -149.86 153.6 37.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.544 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 56.1 t80 -56.83 -33.05 66.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.025 0.441 . . . . 0.0 110.533 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.483 ' NE2' ' HB2' ' A' ' 20' ' ' ARG . 79.0 mm-40 -66.37 -49.31 67.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.983 177.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -58.32 -42.72 87.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.011 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.556 ' O ' HD13 ' A' ' 100' ' ' LEU . 53.1 t80 -58.93 -47.26 85.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.718 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.558 ' HB3' HD23 ' A' ' 44' ' ' LEU . 35.0 mtm180 -69.5 -35.79 75.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.771 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -56.46 -43.94 80.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.567 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -80.54 -29.99 37.12 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.246 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 96' ' ' TYR . 8.0 mp -65.67 -44.22 86.94 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.563 176.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.39 -35.69 81.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.228 0.537 . . . . 0.0 110.321 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -68.1 -26.3 65.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.494 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.66 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.073 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 115.01 5.99 19.3 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.505 -0.855 . . . . 0.0 113.302 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.4 t -77.14 112.08 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.076 0.465 . . . . 0.0 110.363 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -108.73 -30.1 8.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.167 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.781 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 83.3 mtt180 -117.28 102.99 9.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.995 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.8 t90 -87.83 93.02 9.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.166 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.8 t -102.01 102.48 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.2 m -103.33 117.41 34.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.0 0.429 . . . . 0.0 110.312 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.408 ' OD1' ' HB3' ' A' ' 113' ' ' HIS . 40.3 t-20 -106.12 105.94 16.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.424 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 112' ' ' ILE . 4.7 tp -72.08 -27.68 27.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.17 0.509 . . . . 0.0 109.694 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.408 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 54.7 t-80 -67.09 -20.53 65.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.103 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 12.2 tp10 -113.16 -9.89 13.45 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.775 -172.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 58.34 27.66 15.65 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.603 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 59.1 mttp -133.9 142.74 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 0.0 111.575 -174.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -103.26 121.04 41.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.48 172.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -104.23 108.93 20.55 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.827 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -89.85 104.71 17.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.237 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.781 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 78.3 m-85 -100.37 143.89 30.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.844 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.437 HG23 ' H ' ' A' ' 123' ' ' ASP . 14.3 t -80.29 -179.56 7.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 174.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -56.84 -35.62 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.021 0.439 . . . . 0.0 110.96 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.437 ' H ' HG23 ' A' ' 121' ' ' THR . 29.9 t70 -81.97 13.58 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.143 -177.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.2 t30 62.51 24.85 14.8 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.782 0.801 . . . . 0.0 110.652 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.8 m -94.51 131.83 39.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.685 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.5 tp -71.41 120.0 16.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.564 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.5 mt -96.67 -49.64 5.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -139.26 144.38 38.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.813 0.34 . . . . 0.0 110.51 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.1 m -126.31 123.32 37.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.065 177.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -130.14 145.61 51.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.825 0.345 . . . . 0.0 110.354 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.5 p -100.24 126.6 46.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.014 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 22.6 pt -85.39 -1.52 6.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.501 0.667 . . . . 0.0 110.157 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 169.605 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.445 ' OD1' ' HB ' ' A' ' 9' ' ' VAL . 9.6 t70 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -68.88 -21.9 64.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.436 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.445 ' HB ' ' OD1' ' A' ' 7' ' ' ASP . 58.3 t -64.57 -36.95 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.234 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 68.9 t -60.71 -43.0 94.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.949 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.93 -53.43 46.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.206 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.644 ' HB2' HD21 ' A' ' 61' ' ' LEU . 60.3 m-85 -68.68 -41.87 78.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.557 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -63.53 -33.43 75.57 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 3.9 tp-100 -59.88 -44.67 94.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.159 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.24 -52.25 58.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.932 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -66.15 -37.02 84.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 0.0 111.463 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.57 -39.64 67.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.678 0.275 . . . . 0.0 110.892 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -70.77 -38.33 73.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.3 -23.39 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.115 0.484 . . . . 0.0 110.033 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 20' ' ' ARG . 2.3 tmm_? -70.29 -19.21 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.124 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -96.47 -56.22 2.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.335 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.63 -35.67 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.066 -176.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.3 mt 61.51 27.47 16.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.703 0.763 . . . . 0.0 109.528 -170.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -84.27 83.72 7.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.738 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -68.77 -27.81 66.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.73 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -64.01 -51.82 62.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.422 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -67.65 -39.07 84.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.571 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.443 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 35.3 t80 -50.73 -56.53 11.57 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.469 0.481 . . . . 0.0 111.41 -177.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -73.64 -17.0 61.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.4 m -76.34 -47.81 22.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.919 0.39 . . . . 0.0 110.002 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.73 -40.49 88.37 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.817 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 46.3 mt -56.11 -51.92 66.18 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.32 174.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HG2' ' CG2' ' A' ' 112' ' ' ILE . 9.7 mtmp? -72.78 0.85 9.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -95.9 -21.75 17.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.985 0.421 . . . . 0.0 110.117 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -120.43 -59.36 1.77 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.369 0.604 . . . . 0.0 110.191 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -90.76 91.88 8.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.465 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -89.35 5.43 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.607 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.441 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 28.9 t -112.6 -91.93 0.48 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.921 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.441 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 52.0 p-80 -168.11 158.51 10.34 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.767 0.318 . . . . 0.0 111.323 -175.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.485 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 47.6 p90 -139.86 149.29 43.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.341 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.451 HG23 HG22 ' A' ' 109' ' ' VAL . 4.5 mp -116.43 114.09 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.776 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.4 OUTLIER -97.59 114.57 26.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.023 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -88.3 107.39 18.79 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.449 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 108' ' ' TRP . 6.8 mp -66.66 145.83 55.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.13 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 68' ' ' VAL . . . 77.63 -39.88 0.31 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.387 0.675 . . . . 0.0 110.793 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.412 HG22 HD22 ' A' ' 48' ' ' ASN . 6.2 m -77.58 -30.05 52.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 59.61 23.64 12.39 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.548 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.471 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.7 m-80 -103.36 110.2 22.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.941 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.5 t -100.47 128.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.695 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -110.04 107.11 16.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.839 0.352 . . . . 0.0 110.29 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.458 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.5 mp -104.29 112.51 38.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.109 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.548 HG22 HG23 ' A' ' 58' ' ' THR . 13.9 t -98.18 115.28 37.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.543 HD12 ' HB3' ' A' ' 57' ' ' ASN . 77.5 mt -74.15 167.06 22.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.45 . . . . 0.0 110.549 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -67.83 -18.15 64.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.349 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -120.89 59.26 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.785 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.6 t70 79.44 -53.19 0.42 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.902 -1.045 . . . . 0.0 113.178 167.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.543 ' HB3' HD12 ' A' ' 53' ' ' LEU . 3.2 t-20 -54.44 131.32 42.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.327 0.584 . . . . 0.0 112.345 -173.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.548 HG23 HG22 ' A' ' 52' ' ' VAL . 28.4 m -122.34 114.61 21.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.812 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 t -100.09 141.72 16.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.237 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.0 pt? -123.84 117.96 26.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.193 0.52 . . . . 0.0 110.594 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 12' ' ' PHE . 31.1 mt -93.16 101.69 13.99 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.409 ' HG2' ' OD1' ' A' ' 48' ' ' ASN . 25.3 mtpp . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.42 HD13 HE22 ' A' ' 94' ' ' GLN . 50.5 mt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.463 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . 39.9 t 49.47 84.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.748 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.46 ' OG ' ' HG3' ' A' ' 98' ' ' ARG . 5.0 m -105.92 -18.1 14.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.682 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 61.2 t -58.94 128.95 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.641 -173.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -119.69 155.45 32.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.196 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -79.34 79.53 5.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.356 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 m -149.78 175.04 11.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.458 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 52.1 pttt -151.29 96.03 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.364 0.602 . . . . 0.0 111.112 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -131.25 131.5 43.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.029 0.443 . . . . 0.0 111.158 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 127' ' ' LEU . 68.1 mtm180 -96.08 -13.96 23.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.135 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -70.34 -50.53 38.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.144 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' A' ' 103' ' ' ALA . 58.7 tp -58.56 -33.65 70.17 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.736 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 76' ' ' ARG . 74.1 mt -61.1 -48.26 89.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.252 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.82 -45.52 85.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.397 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 m -55.52 -47.57 76.03 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.025 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 99' ' ' ASN . 21.6 m -69.31 -33.07 72.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.253 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.2 m -69.43 -36.81 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.97 0.415 . . . . 0.0 110.588 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.42 -33.0 70.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.876 0.846 . . . . 0.0 108.736 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -66.53 -40.51 89.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.26 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 25.2 tp -69.86 -23.29 63.25 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.752 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -83.79 -45.58 13.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.099 0.476 . . . . 0.0 110.327 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.3 t -77.73 -55.95 4.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.333 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' H ' ' A' ' 91' ' ' ILE . 77.7 mtp180 -92.48 -30.27 15.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.628 0.251 . . . . 0.0 110.792 -176.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.621 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 44.9 mt-10 73.63 -28.9 0.19 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.599 0.759 . . . . 0.0 112.093 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.408 ' H ' ' C ' ' A' ' 89' ' ' ARG . 8.4 pt 34.21 -109.27 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 174.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 94' ' ' GLN . 17.2 m -151.88 140.58 20.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -59.4 -30.59 68.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 0.0 111.346 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.425 ' H ' HG22 ' A' ' 92' ' ' THR . 44.9 tp60 -58.8 -52.72 64.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.728 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.19 -34.14 75.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.053 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.468 ' HD1' HG22 ' A' ' 82' ' ' THR . 67.8 t80 -56.3 -52.6 63.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.112 0.482 . . . . 0.0 110.306 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 97' ' ' ARG . 22.5 ttp85 -67.75 -32.09 72.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.727 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.46 ' HG3' ' OG ' ' A' ' 69' ' ' SER . 26.7 ttp180 -66.74 -42.05 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.776 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.532 ' HB2' HG21 ' A' ' 82' ' ' THR . 6.8 m-20 -64.96 -41.59 95.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.11 -40.74 98.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -60.1 -38.11 81.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.037 0.446 . . . . 0.0 110.665 177.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -70.63 -28.93 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.673 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.55 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -77.18 -12.95 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.326 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.8 -0.88 12.1 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.068 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 82.7 t -75.47 105.06 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.161 0.505 . . . . 0.0 110.288 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -105.5 -30.61 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.724 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 41.4 mtp180 -120.27 104.09 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.273 0.559 . . . . 0.0 110.793 -175.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.776 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 4.6 t-105 -87.43 96.14 10.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.543 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.451 HG22 HG23 ' A' ' 41' ' ' ILE . 48.7 t -106.31 103.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.0 0.429 . . . . 0.0 110.85 -178.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.485 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 70.1 m -101.64 111.81 24.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 58.3 t30 -95.22 102.09 13.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.319 0.581 . . . . 0.0 109.449 178.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.484 ' CG2' ' HG2' ' A' ' 33' ' ' LYS . 43.2 mm -61.31 -40.67 86.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.28 -173.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -66.04 -24.41 66.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.403 ' HG3' ' ND2' ' A' ' 111' ' ' ASN . 49.8 mt-10 -103.07 -2.72 27.01 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.524 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 55.66 39.82 30.9 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.536 0.523 . . . . 0.0 110.948 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -136.35 137.84 41.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.92 0.391 . . . . 0.0 111.682 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -100.65 121.37 41.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.248 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -106.44 113.02 26.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.775 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -96.89 108.06 20.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.717 0.294 . . . . 0.0 110.579 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.629 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 93.9 m-85 -100.54 142.93 31.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.498 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.689 ' HB ' HD11 ' A' ' 127' ' ' LEU . 10.1 t -84.71 -179.11 7.05 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.763 175.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -60.11 -31.24 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.02 8.55 37.14 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.074 -176.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 65.1 t30 80.49 12.39 0.93 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.553 0.741 . . . . 0.0 111.793 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.0 m -75.41 132.12 40.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.779 -0.575 . . . . 0.0 109.857 173.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.4 tp -75.6 115.64 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.689 HD11 ' HB ' ' A' ' 121' ' ' THR . 93.7 mt -91.5 -77.15 0.43 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.023 0.44 . . . . 0.0 110.643 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -111.01 142.77 42.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -174.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.7 m -144.61 126.67 15.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.043 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.81 174.57 10.47 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.391 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 m -118.07 116.95 27.91 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.44 0.462 . . . . 0.0 110.261 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.9 pt -67.4 115.62 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.34 0.591 . . . . 0.0 110.212 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.813 -173.493 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.513 ' HA ' HD13 ' A' ' 11' ' ' ILE . 5.5 tp-100 -55.65 -24.37 33.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.298 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.6 t -57.14 -39.29 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.83 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.38 -40.02 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.752 0.31 . . . . 0.0 110.801 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 8' ' ' GLN . 3.1 mp -62.62 -57.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.67 -178.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.633 ' HB3' HD11 ' A' ' 61' ' ' LEU . 57.7 m-85 -66.93 -41.35 87.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.614 -176.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.89 -38.77 86.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.629 0.252 . . . . 0.0 110.526 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -59.29 -41.15 88.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.071 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.797 HG22 ' HD1' ' A' ' 28' ' ' PHE . 35.1 mt -64.07 -48.73 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.645 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.478 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 35.0 m-85 -65.52 -47.64 75.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.956 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.702 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -65.82 -30.46 71.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.602 0.239 . . . . 0.0 111.191 -179.064 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.51 -55.44 20.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.2 p -65.33 -27.23 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.685 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.702 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 20.9 mtp180 -54.47 -44.4 72.55 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -104.01 -35.25 8.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.771 0.32 . . . . 0.0 111.437 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 12.5 t70 -79.29 -30.69 43.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.145 -172.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 93' ' ' PHE . 80.5 mt 68.25 36.76 3.02 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.703 0.763 . . . . 0.0 109.383 -169.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.14 57.68 2.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.532 -177.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -63.47 -35.31 80.02 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -174.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -60.43 -52.03 66.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.275 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.423 ' CH2' HG12 ' A' ' 15' ' ' ILE . 24.7 t90 -72.09 -38.23 69.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.359 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.797 ' HD1' HG22 ' A' ' 15' ' ' ILE . 54.6 t80 -58.59 -52.54 65.22 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.92 -23.97 66.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.666 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 m -79.43 -48.2 14.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.076 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -67.64 -33.73 75.55 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.344 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.454 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 52.7 mt -62.51 -47.71 82.75 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -69.35 -12.89 62.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.204 0.526 . . . . 0.0 110.762 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -46.81 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.213 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -105.91 -44.16 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.476 -171.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -81.21 79.96 7.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.384 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -75.13 -17.75 16.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.284 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 m -108.47 -85.93 0.52 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -170.87 151.31 3.35 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 122.298 -0.251 . . . . 0.0 110.924 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 37.1 p90 -125.2 146.84 49.33 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.739 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.6 mp -110.51 116.61 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.208 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.897 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 19.2 t80 -103.39 112.4 25.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.87 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD1' ' HD2' ' A' ' 107' ' ' ARG . 97.4 m-85 -84.17 115.36 22.38 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.17 156.07 39.32 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.298 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.61 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 73.33 -53.18 0.7 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.559 0.744 . . . . 0.0 111.297 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 m -76.89 -21.71 54.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.442 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 56.12 30.16 15.9 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.969 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -93.43 117.78 30.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.969 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.667 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 4.1 t -110.94 124.41 67.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.615 0.245 . . . . 0.0 110.767 -175.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -112.59 97.67 6.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.844 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.575 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.3 mp -85.69 101.7 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.4 t -86.01 112.71 22.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.785 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -72.62 -172.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.037 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -76.7 65.22 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.084 0.469 . . . . 0.0 110.834 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.1 t30 82.24 9.26 0.8 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.702 165.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -92.63 -71.58 0.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.648 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -146.53 174.9 10.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.823 0.344 . . . . 0.0 110.206 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.1 m -114.76 129.35 56.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.298 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.575 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 54.5 t -87.52 121.82 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 176.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tt -104.35 115.27 30.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.032 -174.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.667 ' HB2' ' HB ' ' A' ' 49' ' ' VAL . 46.7 mt -105.36 164.84 11.55 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.11 0.481 . . . . 0.0 110.685 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.765 176.599 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 56.3 mt . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.665 0.745 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.32 87.16 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.12 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.0 m -110.1 7.66 23.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.575 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.512 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 95.4 t -73.28 127.52 35.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.336 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -113.92 145.81 40.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.256 -174.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -69.63 89.36 0.53 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.261 0.553 . . . . 0.0 110.295 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.545 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 28.1 t -153.89 162.29 41.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.517 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -135.09 66.02 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -103.68 102.74 12.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.405 0.621 . . . . 0.0 111.031 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 76' ' ' ARG . 44.0 ttt180 -73.9 -23.57 59.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.082 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -75.45 -40.83 57.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.845 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.25 -37.38 85.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.413 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.45 -48.3 85.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -56.32 -47.38 78.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.889 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.2 m -63.37 -37.41 87.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.421 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.8 m -63.54 -44.28 94.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.699 0.285 . . . . 0.0 110.41 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -59.98 -36.76 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.356 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -68.82 -31.05 69.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.362 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -68.93 -41.05 78.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.902 0.382 . . . . 0.0 110.451 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 tp -72.95 -30.79 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 109.885 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -71.95 -42.78 66.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.168 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.5 m -84.63 -51.47 6.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.094 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.61 ' O ' ' HB3' ' A' ' 90' ' ' GLU . 16.0 tpp180 -100.32 -79.11 0.5 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.929 -172.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.61 ' HB3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER 161.86 -38.05 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.589 0.756 . . . . 0.0 110.061 174.575 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.8 pt 40.01 -131.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.805 0.842 . . . . 0.0 112.032 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.455 ' HB ' ' OE1' ' A' ' 95' ' ' GLU . 39.9 m -149.49 148.19 29.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.47 ' HB2' HD23 ' A' ' 23' ' ' LEU . 17.0 t80 -63.35 -30.8 71.87 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 -174.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 98' ' ' ARG . 27.7 tt0 -57.68 -51.9 67.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.07 173.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.455 ' OE1' ' HB ' ' A' ' 92' ' ' THR . 4.2 mp0 -67.35 -28.78 68.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.491 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -59.62 -52.31 66.08 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.536 ' HA ' HD12 ' A' ' 100' ' ' LEU . 85.3 mtt180 -72.38 -28.33 62.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.074 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 94' ' ' GLN . 36.8 ttt180 -61.39 -48.62 80.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.321 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -72.37 -29.34 63.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.969 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 97' ' ' ARG . 57.8 mt -63.05 -41.24 99.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.524 174.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB1' ' HA ' ' A' ' 70' ' ' VAL . . . -62.64 -35.78 80.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.313 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -69.99 -26.65 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.822 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.21 -20.96 47.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.545 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 111.67 10.25 19.52 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.609 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.4 t -76.57 115.41 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.124 0.487 . . . . 0.0 109.909 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -107.55 -26.48 10.88 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.297 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.452 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -118.82 112.78 20.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.09 0.471 . . . . 0.0 111.439 -178.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.897 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 10.2 t-105 -94.77 98.24 10.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.737 173.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.3 t -111.5 104.14 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.064 0.459 . . . . 0.0 110.721 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.612 HG23 ' HG2' ' A' ' 117' ' ' ARG . 55.9 m -99.07 104.1 16.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.156 0.503 . . . . 0.0 110.676 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -90.39 94.04 9.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.3 tp -77.07 -17.05 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.883 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.73 -28.59 69.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.581 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -107.19 -5.93 17.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.602 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 59.52 47.97 10.26 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.504 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -139.45 133.4 30.92 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.783 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.612 ' HG2' HG23 ' A' ' 110' ' ' THR . 42.0 mtm180 -100.74 117.87 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.267 176.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -100.57 135.6 41.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -177.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.433 ' HE1' ' CZ3' ' A' ' 108' ' ' TRP . 90.4 m-85 -117.0 116.68 27.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.602 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -116.36 137.55 52.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.355 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.891 ' HB ' HD11 ' A' ' 127' ' ' LEU . 12.6 t -80.47 -178.62 6.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 171.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -59.95 -29.38 68.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.991 0.36 . . . . 0.0 111.4 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.435 ' H ' HG23 ' A' ' 121' ' ' THR . 2.7 m-20 -63.78 -16.63 61.68 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 176.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.9 t30 71.53 17.82 5.57 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.906 0.86 . . . . 0.0 109.654 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.3 t -82.93 137.89 34.04 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.406 174.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.53 112.88 4.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.384 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.891 HD11 ' HB ' ' A' ' 121' ' ' THR . 96.4 mt -90.58 -54.5 3.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.006 177.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -141.75 159.64 41.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.561 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.9 m -146.26 112.81 5.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.359 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 117' ' ' ARG . 53.3 mt-10 -92.41 108.3 19.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 177.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.7 m -84.38 111.16 19.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.794 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.8 pt -92.89 120.39 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.469 0.652 . . . . 0.0 111.402 -174.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.401 177.361 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 120.582 0.23 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -64.69 -31.1 72.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.637 -175.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.55 -34.88 59.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.838 0.351 . . . . 0.0 110.401 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 61.5 t -61.99 -41.78 92.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.019 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.4 mp -64.07 -53.74 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.632 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.585 ' HB3' HD11 ' A' ' 61' ' ' LEU . 70.7 m-85 -65.45 -43.34 90.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.551 -176.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HA ' HD13 ' A' ' 61' ' ' LEU . 57.8 tttp -60.68 -42.21 96.67 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.49 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 4.0 tp-100 -59.13 -40.09 84.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -176.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.475 HG22 ' HD1' ' A' ' 28' ' ' PHE . 64.8 mt -63.11 -54.63 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.843 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.465 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 63.4 m-85 -65.15 -37.23 86.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.196 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -69.7 -22.3 63.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.558 -178.029 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -86.65 -41.91 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 111.294 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.23 -20.51 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 16' ' ' PHE . 62.7 mtt180 -65.07 -32.24 73.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.497 176.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -105.9 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.57 -28.33 45.89 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.086 -172.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 93' ' ' PHE . 71.9 mt 63.98 31.73 13.51 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.177 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -86.55 83.54 7.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.531 0.682 . . . . 0.0 110.944 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.476 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 83.6 m-85 -74.66 -23.52 58.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.82 -178.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -59.94 4.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -68.53 -35.56 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.304 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 61.0 t80 -56.9 -56.89 15.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.727 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -72.37 -22.41 61.15 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -177.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.4 m -64.18 -51.21 64.89 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.694 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.97 -30.54 69.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.155 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 73.2 mt -60.59 -56.31 22.86 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.324 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.76 -19.22 64.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.062 0.458 . . . . 0.0 111.509 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -97.1 -4.66 38.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -131.57 -60.89 0.92 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.196 0.522 . . . . 0.0 110.813 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -93.97 94.13 8.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.552 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 t -88.83 5.34 4.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.706 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 m -110.61 -88.39 0.51 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.144 -0.348 . . . . 0.0 111.883 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -170.1 160.43 8.08 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.583 0.23 . . . . 0.0 111.039 -175.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.488 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 50.0 p90 -136.66 146.38 45.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 174.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.21 113.75 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.185 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.761 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 4.0 t80 -96.45 115.55 27.62 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.672 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -90.61 119.16 30.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.248 0.547 . . . . 0.0 110.758 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 97' ' ' ARG . 96.0 mt -88.28 103.18 15.55 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.767 -175.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . 151.47 -69.45 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 125.223 1.577 . . . . 0.0 108.497 -176.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.2 p -83.18 -13.49 55.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 62.37 30.32 17.37 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.1 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 4.7 m-20 -86.31 109.29 18.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.186 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.39 115.21 33.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.93 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -99.56 98.4 9.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mp -90.31 110.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.292 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -91.78 101.63 12.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.49 164.49 21.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.885 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -67.74 -18.93 65.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.343 0.592 . . . . 0.0 110.521 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 24.4 t-20 -82.7 5.84 19.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.707 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 35.0 t70 77.42 -15.21 0.77 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.894 0.878 . . . . 0.0 111.257 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -65.36 106.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.369 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 m -87.88 116.47 26.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 t -100.18 111.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.471 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.768 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.1 pt? -96.58 121.89 38.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.24 0.543 . . . . 0.0 110.555 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 12' ' ' PHE . 28.7 mt -103.89 105.42 15.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.484 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.0 pttt . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 171.777 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.4 mm . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.7 p -83.37 90.94 2.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.048 0.928 . . . . 0.0 111.721 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.5 p -111.61 8.3 20.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.328 172.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.472 HG22 ' HB1' ' A' ' 101' ' ' ALA . 19.6 t -84.77 135.5 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.447 -176.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -115.85 158.46 22.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.193 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -77.2 81.9 3.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.339 0.59 . . . . 0.0 110.131 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.526 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 57.6 m -155.7 166.26 34.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.703 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HB2' HD21 ' A' ' 127' ' ' LEU . 50.5 pttt -146.13 87.1 1.73 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.577 0.703 . . . . 0.0 109.666 173.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -118.86 118.72 32.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.884 -174.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -78.73 -27.56 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.532 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -66.74 -38.56 86.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.702 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.4 tp -64.29 -43.35 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.23 -51.08 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.218 0.532 . . . . 0.0 109.722 175.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -53.54 -44.04 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.745 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -69.87 -36.86 75.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.848 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.9 m -67.65 -38.73 84.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.9 m -59.62 -45.61 91.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.003 0.43 . . . . 0.0 110.44 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 87' ' ' LYS . 64.0 t30 -70.79 -29.09 65.18 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.417 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -63.87 -42.47 97.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.174 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 38.9 tp -68.49 -36.28 78.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.959 175.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 22.9 tptm -62.51 -52.81 62.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.415 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.5 m -82.97 -55.25 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -95.08 -22.89 17.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -171.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 45.7 mt-10 73.72 -40.93 0.47 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.272 0.629 . . . . 0.0 112.273 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 95' ' ' GLU . 29.8 pt 43.44 -148.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.498 0.719 . . . . 0.0 111.419 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.48 ' HB ' ' OE2' ' A' ' 95' ' ' GLU . 50.9 m -119.8 150.31 40.63 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 171.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.518 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 9.9 t80 -57.87 -22.93 50.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.761 0.315 . . . . 0.0 111.172 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.411 ' HB2' ' OE2' ' A' ' 95' ' ' GLU . 12.5 mm-40 -62.52 -55.64 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' OE2' ' HB ' ' A' ' 92' ' ' THR . 2.4 mp0 -63.33 -36.85 85.08 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.701 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -56.35 -47.92 77.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.798 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.597 ' HB3' HD22 ' A' ' 44' ' ' LEU . 55.0 mtm-85 -75.29 -22.07 58.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.926 0.393 . . . . 0.0 110.891 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.647 ' HA ' ' HE ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -80.12 -34.99 37.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.991 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -37.04 84.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 110.202 175.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.93 -38.61 89.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.481 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -63.74 -30.63 71.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.959 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.25 -30.44 67.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.086 0.469 . . . . 0.0 110.605 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.32 57.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.611 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 95.77 7.79 58.61 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.728 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.72 115.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.034 0.445 . . . . 0.0 110.024 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -115.03 -24.45 8.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.549 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.623 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 41.7 ttm180 -121.64 103.51 8.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.241 0.543 . . . . 0.0 110.877 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.761 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.5 t90 -96.51 106.67 18.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.273 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 107' ' ' ARG . 48.4 t -110.04 104.87 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.781 0.324 . . . . 0.0 111.104 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 41.5 m -92.48 114.9 27.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 174.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -94.14 107.61 19.53 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.5 mm -64.95 -47.88 86.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -72.93 -27.61 61.95 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.332 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -91.35 -10.56 40.78 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.494 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 64.45 35.49 9.49 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.82 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.59 154.62 47.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.98 0.419 . . . . 0.0 111.766 -176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.519 ' HB2' ' HG2' ' A' ' 130' ' ' GLU . 86.2 mtt180 -113.59 114.87 27.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.369 170.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.453 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 75.6 m-85 -97.73 113.58 25.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.529 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -97.61 105.25 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.342 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.623 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 92.3 m-85 -103.14 141.0 36.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.979 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.492 ' HB ' HD11 ' A' ' 127' ' ' LEU . 9.7 t -80.16 171.05 15.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.481 175.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -66.55 -10.33 44.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.843 0.354 . . . . 0.0 111.417 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.459 ' H ' HG23 ' A' ' 121' ' ' THR . 25.1 t70 -95.76 13.22 27.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.099 0.476 . . . . 0.0 110.64 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 73.2 4.74 4.97 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.139 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.6 t -88.23 146.11 25.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.846 0.355 . . . . 0.0 110.577 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 62.6 tp -85.84 124.83 32.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.132 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 74' ' ' LYS . 84.6 mt -103.73 -47.13 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.465 -178.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -140.72 149.69 42.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.495 -174.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 54.6 m -147.54 120.0 8.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.218 176.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.519 ' HG2' ' HB2' ' A' ' 117' ' ' ARG . 14.3 pt-20 -115.27 174.3 6.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.016 178.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.4 m -127.61 129.21 46.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.293 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.5 pt -94.96 30.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -172.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 121.258 0.551 . . . . 0.0 110.75 177.547 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 N--CA 1.461 0.109 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.553 ' HA ' HD13 ' A' ' 11' ' ' ILE . 7.0 tp60 -56.02 -29.29 60.16 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.659 0.384 . . . . 0.0 111.71 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.2 t -56.49 -36.84 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 121.141 0.496 . . . . 0.0 110.655 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 57.4 t -66.42 -47.21 84.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' A' ' 8' ' ' GLN . 3.2 mp -57.29 -51.55 68.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.686 ' HB3' HD11 ' A' ' 61' ' ' LEU . 25.6 m-85 -63.58 -38.96 93.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.383 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 1.3 ttmm -60.01 -46.06 90.72 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.353 176.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 10' ' ' VAL . 80.1 mm-40 -57.71 -35.73 71.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.058 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.59 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 78.7 mt -61.46 -57.31 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.724 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -68.4 -35.66 78.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.345 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -74.66 -15.44 60.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.191 -175.639 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -87.01 -50.01 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 0.0 110.121 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.73 ' HB ' ' HE1' ' A' ' 27' ' ' TRP . 12.4 p -71.89 -24.13 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -173.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.516 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 13.3 ptm180 -58.48 -25.02 61.87 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.46 -45.83 3.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.651 0.262 . . . . 0.0 111.62 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -76.84 -22.61 53.31 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -172.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.404 HD21 ' H ' ' A' ' 93' ' ' PHE . 96.4 mt 62.57 17.3 9.53 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.289 0.368 . . . . 0.0 111.908 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.477 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 13.5 p-10 -80.27 75.67 7.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.365 0.602 . . . . 0.0 110.224 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -59.24 -29.47 67.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.746 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -32.15 65.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.73 ' HE1' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -79.02 -41.31 29.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.44 0.638 . . . . 0.0 109.936 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.451 ' CE2' HD11 ' A' ' 32' ' ' LEU . 46.7 t80 -77.98 -40.23 39.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.221 -167.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.44 ' HA ' HD12 ' A' ' 32' ' ' LEU . 56.4 m-85 -69.01 -21.92 64.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.022 0.439 . . . . 0.0 110.471 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.8 m -71.91 -47.43 52.65 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 171.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.45 -42.61 74.49 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 28' ' ' PHE . 93.4 mt -57.56 -57.48 12.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.216 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.41 -29.9 70.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.031 0.444 . . . . 0.0 110.844 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 34' ' ' ARG . 15.5 mmm-85 -71.91 -47.58 51.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.932 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -108.46 -53.69 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.067 0.461 . . . . 0.0 111.121 -168.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -89.33 79.56 7.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.402 0.62 . . . . 0.0 110.402 -177.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.41 -19.13 19.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.426 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.566 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 17.6 t -103.2 -86.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.514 -175.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -171.21 153.03 3.54 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.488 0.185 . . . . 0.0 110.76 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.524 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 43.1 p90 -124.08 144.66 49.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.378 . . . . 0.0 110.576 176.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.0 mt -115.73 109.06 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.071 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.773 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.6 OUTLIER -99.24 109.98 22.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.129 -176.391 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -88.72 113.17 23.99 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.82 -35.33 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . -67.34 -38.94 85.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.8 p -100.08 -6.76 25.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.539 ' OE2' HG13 ' A' ' 67' ' ' ILE . 46.8 mt-10 59.45 20.58 8.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.16 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 95.8 m-20 -86.03 116.37 24.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.2 0.524 . . . . 0.0 110.647 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.0 t -99.66 106.98 19.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.836 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -91.57 93.21 8.84 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.544 -0.098 . . . . 0.0 110.988 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.49 102.56 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.566 ' O ' ' HB3' ' A' ' 38' ' ' SER . 14.0 t -87.98 114.05 26.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.7 mt -79.8 168.68 18.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.53 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -81.4 -3.86 54.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.729 0.776 . . . . 0.0 109.422 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -101.81 25.96 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.509 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 t70 76.46 -32.4 0.2 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.342 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.48 126.68 28.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.909 0.385 . . . . 0.0 111.764 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.5 m -103.88 113.12 26.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.57 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.7 t -90.35 103.25 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -99.63 122.5 42.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.575 0.703 . . . . 0.0 110.79 -178.166 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.686 HD11 ' HB3' ' A' ' 12' ' ' PHE . 8.8 mt -110.13 -175.23 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.866 -176.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 66.0 mttm . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.288 167.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.604 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 70.3 mt . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.306 0.574 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 t -86.55 24.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.993 0.902 . . . . 0.0 109.675 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.3 m -98.61 11.92 36.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.242 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.447 HG22 ' HB1' ' A' ' 101' ' ' ALA . 80.3 t -66.27 134.5 29.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.183 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 75.3 mmtt -85.87 134.71 33.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.092 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -80.2 80.76 6.58 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.5 m -138.43 171.62 14.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.168 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.5 ' HG2' HG21 ' A' ' 121' ' ' THR . 96.3 mttt -141.9 78.38 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -134.83 131.73 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.514 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.457 ' CG ' ' HD1' ' A' ' 128' ' ' PHE . 33.0 ttp180 -92.84 -18.16 23.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.342 178.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -65.18 -42.22 93.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.014 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 26.3 tp -65.6 -37.98 88.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.882 0.372 . . . . 0.0 110.339 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.96 -49.61 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.306 0.574 . . . . 0.0 109.682 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -54.95 -47.47 74.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.023 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.4 m -65.46 -39.19 91.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.969 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.5 m -70.27 -36.2 74.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.975 0.417 . . . . 0.0 110.451 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.0 t -66.21 -40.4 90.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.737 175.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.31 -46.56 88.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.012 175.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -62.65 -40.06 95.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.33 -35.24 79.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -72.34 -39.88 67.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.815 0.341 . . . . 0.0 111.461 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.2 m -89.55 -32.11 17.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -175.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -100.42 -33.14 10.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 59.81 74.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.88 0.848 . . . . 0.0 109.014 -168.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 37.3 pt -87.63 166.8 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.008 -176.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -64.61 139.66 58.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.16 176.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.491 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 30.7 t80 -55.89 -30.61 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.06 0.457 . . . . 0.0 111.05 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -63.33 -41.55 98.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.297 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -40.09 70.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.443 0.64 . . . . 0.0 109.686 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -55.69 -44.46 77.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.391 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.54 ' HA ' HD12 ' A' ' 100' ' ' LEU . 25.1 mtp85 -73.57 -28.04 61.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.678 -177.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 71.8 mtt-85 -59.43 -47.99 83.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.982 0.42 . . . . 0.0 110.728 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.558 ' HA ' ' HD2' ' A' ' 102' ' ' LYS . 48.6 m-80 -74.47 -24.65 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.956 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 97' ' ' ARG . 71.0 mt -63.0 -43.93 97.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.888 0.375 . . . . 0.0 110.201 171.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -63.7 -30.43 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.67 176.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HD2' ' HA ' ' A' ' 99' ' ' ASN . 95.3 mttt -71.05 -29.37 65.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.753 177.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.412 ' HB2' ' HB3' ' A' ' 78' ' ' LEU . . . -82.07 -10.25 59.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 121' ' ' THR . . . 103.11 9.42 39.38 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.779 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.1 t -72.73 99.79 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.312 0.577 . . . . 0.0 110.148 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.445 ' HE1' ' HB3' ' A' ' 45' ' ' ALA . 49.7 t80 -97.32 -31.13 12.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.889 -177.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.69 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 42.4 ttm180 -124.01 104.92 9.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.219 0.533 . . . . 0.0 111.132 -173.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.773 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 3.6 t-105 -92.85 109.39 20.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.341 177.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.4 t -111.64 128.32 68.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.687 0.28 . . . . 0.0 110.58 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.524 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 57.7 m -127.34 112.1 14.64 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.961 0.41 . . . . 0.0 110.494 175.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.415 ' HB2' ' HB2' ' A' ' 114' ' ' GLU . 15.0 m120 -95.16 111.35 23.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.352 178.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.6 mm -65.28 -56.57 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.132 -172.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -79.47 9.24 5.04 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.235 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 56.1 mm-40 -109.52 -20.53 12.84 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 64.11 39.61 7.57 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.288 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -131.95 148.42 52.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.972 0.415 . . . . 0.0 111.737 -176.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.447 ' NH2' ' HG2' ' A' ' 130' ' ' GLU . 15.7 mtm180 -121.28 112.43 18.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -101.66 126.15 48.45 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.942 0.401 . . . . 0.0 110.406 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -104.72 103.45 13.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.145 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.69 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 94.8 m-85 -104.21 143.55 32.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.066 0.46 . . . . 0.0 110.988 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.5 HG21 ' HG2' ' A' ' 74' ' ' LYS . 10.1 t -82.3 -178.71 7.15 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 172.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -61.3 -21.3 63.82 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.124 0.488 . . . . 0.0 111.383 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.488 ' H ' HG23 ' A' ' 121' ' ' THR . 34.8 t70 -97.44 21.2 10.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.273 0.558 . . . . 0.0 110.323 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.444 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 2.3 p-10 49.4 25.17 1.23 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.413 1.085 . . . . 0.0 112.236 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.441 ' HB2' HG22 ' A' ' 121' ' ' THR . 5.1 m -77.66 125.28 29.09 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -70.67 110.77 5.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.274 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.5 HD11 ' HB ' ' A' ' 121' ' ' THR . 89.6 mt -91.01 -56.44 3.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.764 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.457 ' HD1' ' CG ' ' A' ' 76' ' ' ARG . 24.2 t80 -124.96 145.38 49.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -176.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.7 m -131.54 107.52 8.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.957 0.408 . . . . 0.0 110.341 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.447 ' HG2' ' NH2' ' A' ' 117' ' ' ARG . 7.5 tp10 -112.4 153.8 26.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.881 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.6 t -122.37 127.97 50.4 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 133' ' ' GLN . 13.8 pt -86.85 50.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.796 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.444 ' HB3' ' O ' ' A' ' 132' ' ' ILE . 6.6 tp-100 . . . . . 0 N--CA 1.465 0.305 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.233 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 N--CA 1.462 0.164 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -56.58 -37.67 70.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 110.797 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.39 -33.92 52.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.967 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.8 t -68.32 -38.84 80.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.13 -50.18 81.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.044 0.45 . . . . 0.0 110.519 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.564 ' HB2' HD21 ' A' ' 61' ' ' LEU . 76.8 m-85 -68.09 -43.24 78.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.336 -178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -62.82 -32.88 74.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.523 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -59.75 -42.98 94.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.304 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.34 -52.25 60.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.246 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.495 ' HA ' HG12 ' A' ' 19' ' ' VAL . 81.8 m-85 -66.72 -29.53 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.568 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.85 -41.75 78.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.887 0.375 . . . . 0.0 110.267 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.73 -47.57 74.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 16' ' ' PHE . 11.1 p -65.89 -27.12 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.773 0.32 . . . . 0.0 111.043 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.496 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 14.0 ttp180 -61.29 -35.87 78.5 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.064 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -103.66 -43.28 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.688 -174.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.78 -26.24 21.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -170.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.515 HD11 ' HA ' ' A' ' 92' ' ' THR . 96.0 mt 62.44 31.83 16.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.017 0.437 . . . . 0.0 111.134 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -73.62 100.1 3.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.52 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -70.79 -37.68 73.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.677 0.275 . . . . 0.0 111.121 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -58.99 -56.92 16.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.14 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.2 t90 -70.36 -40.48 74.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.223 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.54 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.4 t80 -56.7 -57.87 10.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.572 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -69.44 -28.89 66.51 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.685 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -68.05 -44.07 77.25 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.622 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -68.67 -33.92 74.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.783 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 77.1 mt -59.75 -52.22 66.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 174.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.12 -26.1 68.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.146 0.498 . . . . 0.0 110.835 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -80.31 -21.29 42.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.948 -176.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -130.09 -56.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 111.097 -174.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.424 ' ND2' ' HD1' ' A' ' 40' ' ' TYR . 38.0 t30 -87.38 89.56 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.739 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 113' ' ' HIS . 48.4 t -78.78 -29.34 14.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.271 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.465 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 35.4 m -94.06 -82.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -175.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -169.98 146.53 3.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.669 0.271 . . . . 0.0 111.258 -174.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.509 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 48.2 p90 -116.12 137.78 51.83 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.482 HG23 HG22 ' A' ' 109' ' ' VAL . 48.5 mt -112.0 106.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.372 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.746 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -96.68 107.54 20.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.739 -177.689 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.22 107.8 18.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HG ' HH11 ' A' ' 97' ' ' ARG . 6.7 mp -67.92 159.97 29.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.501 -178.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.678 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 75.39 -49.65 0.63 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.446 0.698 . . . . 0.0 111.193 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 m -84.76 -23.66 29.14 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 61.06 37.73 17.69 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.87 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -99.18 108.11 20.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.718 173.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -98.95 111.4 28.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.441 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -100.85 99.5 10.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.628 0.251 . . . . 0.0 110.452 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -89.17 110.16 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.034 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' O ' ' HB2' ' A' ' 38' ' ' SER . 43.8 t -91.25 109.37 21.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.24 -174.23 0.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.104 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -52.68 -65.09 0.62 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 -177.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -151.54 18.97 0.72 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.894 0.854 . . . . 0.0 108.789 175.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.96 -84.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.851 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -156.57 168.29 27.85 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.0 m -96.16 123.8 39.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.267 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -99.4 116.26 42.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.745 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.9 pt? -103.25 114.21 28.31 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.398 0.618 . . . . 0.0 111.229 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 12' ' ' PHE . 23.9 mt -85.61 88.97 7.6 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 172.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.4 pttt . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.558 -175.738 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.678 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 80.0 mt . . . . . 0 N--CA 1.464 0.225 0 CA-C-O 121.02 0.438 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 68' ' ' VAL . 5.8 p -156.91 97.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.695 0.759 . . . . 0.0 110.981 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -158.8 30.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.669 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 45' ' ' ALA . 75.7 t -64.6 121.77 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.842 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' A' ' 102' ' ' LYS . 62.1 mttm -78.41 160.32 27.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.497 -176.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -85.65 2.01 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.594 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.0 m -89.95 161.1 16.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.669 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.83 110.63 7.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.01 0.434 . . . . 0.0 110.366 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -127.98 136.75 51.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.641 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -98.58 -23.57 15.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.61 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -68.42 -34.59 76.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.697 0.284 . . . . 0.0 110.992 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.8 tp -69.2 -34.77 75.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.99 -48.26 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -55.82 -54.24 46.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.437 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 p -63.9 -34.81 78.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.805 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.45 HG22 ' CD1' ' A' ' 96' ' ' TYR . 47.1 m -70.28 -39.27 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 110.618 177.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -59.81 -51.72 68.54 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.285 174.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -63.61 -33.15 74.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.497 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -60.74 -48.89 79.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.112 177.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.64 -44.61 89.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.481 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.62 -35.31 72.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.548 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 m -92.35 -48.8 6.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -98.44 -17.73 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -170.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 58.85 71.41 0.59 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.425 0.631 . . . . 0.0 109.968 -171.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 36.7 pt -89.01 160.57 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.898 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.547 ' HB ' ' HG2' ' A' ' 95' ' ' GLU . 4.1 m -60.4 142.8 54.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.721 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.496 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 41.3 t80 -60.81 -27.64 68.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.945 0.403 . . . . 0.0 110.904 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -69.01 -39.31 79.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.547 ' HG2' ' HB ' ' A' ' 92' ' ' THR . 12.9 mm-40 -70.98 -36.47 72.53 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.122 0.487 . . . . 0.0 110.168 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.45 ' CD1' HG22 ' A' ' 82' ' ' THR . 69.3 t80 -60.27 -52.0 67.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.409 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 97' ' ' ARG . 34.5 mtm180 -72.14 -26.2 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.632 -178.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.577 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 13.8 ttm-85 -58.14 -56.38 22.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 178.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -66.41 -34.22 77.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.377 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.494 ' HG ' ' HB ' ' A' ' 105' ' ' VAL . 16.3 tp -64.76 -38.65 91.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.403 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.94 72.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.65 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 72.8 mmtt -68.42 -24.85 64.79 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.105 0.479 . . . . 0.0 110.006 176.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.07 -16.44 56.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.047 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.51 7.35 39.88 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.594 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.494 ' HB ' ' HG ' ' A' ' 100' ' ' LEU . 61.3 t -76.95 107.92 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.235 0.54 . . . . 0.0 110.617 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -104.69 -29.65 10.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.524 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.929 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 37.7 ttt180 -118.52 105.43 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.753 -174.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.746 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.8 t90 -92.57 105.43 17.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.568 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.482 HG22 HG23 ' A' ' 41' ' ' ILE . 61.0 t -112.38 114.64 47.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 122.167 -0.333 . . . . 0.0 110.491 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.524 HG23 ' HG2' ' A' ' 117' ' ' ARG . 95.2 m -117.93 111.2 18.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.117 0.484 . . . . 0.0 111.149 178.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.534 ' HB3' ' HG2' ' A' ' 114' ' ' GLU . 7.7 m120 -88.12 103.81 16.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.695 175.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.416 HD11 HD13 ' A' ' 32' ' ' LEU . 48.3 mm -65.19 -38.46 82.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.295 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 57.1 t-80 -63.56 -29.21 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.906 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.534 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 38.1 mm-40 -95.69 -14.95 23.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.026 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 62.95 37.73 11.69 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.565 0.54 . . . . 0.0 110.691 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 58.4 mtpt -138.42 136.67 36.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.504 -175.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.524 ' HG2' HG23 ' A' ' 110' ' ' THR . 20.4 mtm180 -105.18 126.66 52.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.798 174.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -108.31 126.28 52.65 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.075 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -104.89 109.08 20.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.434 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.929 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 82.7 m-85 -102.97 139.38 38.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.783 ' HB ' HD11 ' A' ' 127' ' ' LEU . 5.0 t -80.37 174.37 11.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.69 174.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -63.85 -17.56 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.501 0.667 . . . . 0.0 110.553 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 124' ' ' ASN . 3.6 m-20 -72.02 -8.88 57.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.761 176.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 123' ' ' ASP . 25.7 m-80 68.56 25.15 6.74 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.701 0.626 . . . . 0.0 110.43 -174.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.9 t -104.21 139.59 39.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.456 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.3 tp -72.92 113.4 9.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.984 0.421 . . . . 0.0 110.602 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.783 HD11 ' HB ' ' A' ' 121' ' ' THR . 85.3 mt -86.08 -63.65 1.28 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.747 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -124.75 139.64 53.67 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.06 -173.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.9 m -117.79 105.11 11.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.959 0.409 . . . . 0.0 110.249 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -112.61 111.93 23.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.511 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 15.3 m -74.66 137.89 42.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.489 HG23 ' HG3' ' A' ' 117' ' ' ARG . 28.0 pt -88.64 6.02 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.125 0.488 . . . . 0.0 110.725 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.471 ' HA ' HD13 ' A' ' 11' ' ' ILE . 46.4 tt0 -64.17 -23.29 67.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.04 -170.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.62 -36.42 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.877 0.37 . . . . 0.0 110.432 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.7 t -61.69 -41.47 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 8' ' ' GLN . 2.5 mp -62.22 -54.76 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.57 ' HB2' HD21 ' A' ' 61' ' ' LEU . 72.2 m-85 -66.4 -40.16 89.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.486 -177.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HA ' HD13 ' A' ' 61' ' ' LEU . 18.9 ttpp -62.34 -36.31 81.8 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.31 -37.77 88.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.86 -51.55 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.225 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.618 ' HA ' HG12 ' A' ' 19' ' ' VAL . 87.1 m-85 -69.9 -32.88 71.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.879 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.7 -39.46 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.533 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -91.5 -38.95 12.22 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.952 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -63.93 -29.04 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -175.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -70.56 -12.02 61.3 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 111.455 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 9.1 t30 -114.54 -54.48 2.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -177.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.8 -15.78 33.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.06 -173.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.419 HD21 ' H ' ' A' ' 93' ' ' PHE . 89.7 mt 61.01 34.03 19.47 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.405 0.441 . . . . 0.0 112.044 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -79.43 86.95 5.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.616 0.722 . . . . 0.0 110.745 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 77.7 m-85 -80.0 -24.03 41.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.6 -176.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -58.18 -51.49 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.371 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -74.09 -31.57 62.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.911 0.386 . . . . 0.0 110.444 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.5 t80 -60.01 -57.64 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.395 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -66.38 -31.73 72.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.4 m -63.86 -46.68 83.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.9 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -68.74 -32.41 72.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.854 178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 76.6 mt -60.4 -49.37 77.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.922 0.392 . . . . 0.0 110.431 176.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -73.06 -12.14 60.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.591 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -100.04 -16.93 17.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.973 0.416 . . . . 0.0 111.359 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -127.57 -46.24 1.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.958 -0.463 . . . . 0.0 111.363 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.28 79.61 9.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.13 0.49 . . . . 0.0 109.853 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -70.88 -32.61 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.038 -176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 p -103.15 -82.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.244 -0.583 . . . . 0.0 111.917 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 48.0 p-80 -163.52 157.23 19.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.741 0.305 . . . . 0.0 111.286 -173.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.561 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 44.0 p90 -128.11 141.39 51.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 174.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 41' ' ' ILE . 4.3 mp -107.83 109.39 28.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.146 -178.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.586 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.1 t80 -90.49 112.17 23.72 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.841 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -90.69 113.6 25.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.968 0.413 . . . . 0.0 109.914 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.97 158.77 35.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.851 -177.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . 69.36 -66.75 0.25 Allowed 'General case' 0 C--O 1.223 -0.303 0 O-C-N 124.014 0.821 . . . . 0.0 110.766 -173.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 m -60.52 -27.49 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.125 0.488 . . . . 0.0 110.428 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 46.6 mt-10 61.5 26.25 16.02 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.239 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.558 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 5.1 m-20 -89.77 99.18 12.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.572 175.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.9 t -89.86 111.78 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.872 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -92.47 93.86 8.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.722 -177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.4 105.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.006 0.431 . . . . 0.0 110.642 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 t -87.29 114.25 26.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 172.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.37 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.281 0.563 . . . . 0.0 111.28 -176.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.448 ' HG2' ' OD1' ' A' ' 55' ' ' ASN . 45.1 tttm -115.52 -65.61 1.17 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.09 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' OD1' ' HG2' ' A' ' 54' ' ' LYS . 4.5 p-10 -171.0 20.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.838 175.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -113.81 -33.8 5.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.714 -170.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -153.52 149.42 27.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.383 . . . . 0.0 110.772 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.5 m -120.24 106.04 11.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.802 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.61 103.17 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.17 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.859 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.9 pt? -93.48 118.75 31.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.256 0.551 . . . . 0.0 110.519 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 12' ' ' PHE . 26.2 mt -90.86 175.83 6.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.95 -177.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.1 tttm . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.985 175.878 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.406 HG21 ' NH1' ' A' ' 97' ' ' ARG . 10.9 tp . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.76 136.97 59.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 120.861 0.363 . . . . 0.0 110.792 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 m -82.63 106.95 14.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.61 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.592 HG23 ' HB2' ' A' ' 45' ' ' ALA . 89.5 t -68.56 113.65 4.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -85.1 135.23 34.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.907 -174.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.474 ' HA ' ' HE1' ' A' ' 122' ' ' PHE . 16.2 p90 -67.43 90.22 0.24 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 122.119 0.962 . . . . 0.0 110.786 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.401 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 22.8 m -146.13 177.82 8.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.36 178.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -151.4 72.49 1.04 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.451 0.643 . . . . 0.0 109.832 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -115.16 120.82 41.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.091 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.512 ' HA ' HD12 ' A' ' 79' ' ' ILE . 28.9 ptt180 -92.17 -13.38 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.797 -176.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -71.47 -40.29 70.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.491 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 103' ' ' ALA . 42.1 tp -64.26 -42.65 96.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 76' ' ' ARG . 66.1 mt -57.4 -50.34 77.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.624 174.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.37 -50.08 63.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.109 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.9 m -62.18 -38.57 89.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.797 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.497 HG22 ' CD1' ' A' ' 96' ' ' TYR . 31.1 m -67.94 -45.4 74.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.714 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.2 m -58.06 -42.27 85.11 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -70.52 -40.14 73.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.732 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.728 ' HE3' HD13 ' A' ' 91' ' ' ILE . 36.2 ttpt -63.33 -41.56 98.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.314 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.431 ' HA ' HG12 ' A' ' 91' ' ' ILE . 54.1 tp -71.2 -41.87 69.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.882 -0.511 . . . . 0.0 110.567 177.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.461 ' HB2' ' HZ2' ' A' ' 87' ' ' LYS . 4.2 ttmp? -70.26 -39.33 75.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.683 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.5 m -94.89 -36.39 11.64 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -175.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 89' ' ' ARG . 20.6 ttt180 -97.35 -27.52 14.45 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.461 -173.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 62.95 70.34 0.55 Allowed 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.721 0.638 . . . . 0.0 110.172 -172.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.728 HD13 ' HE3' ' A' ' 85' ' ' LYS . 46.4 pt -85.48 -179.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.726 176.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.441 ' HB ' ' HG3' ' A' ' 95' ' ' GLU . 1.8 m -74.87 143.01 44.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.076 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.582 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 63.8 t80 -62.62 -30.37 71.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.996 0.426 . . . . 0.0 110.341 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.565 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 10.0 tt0 -64.96 -38.55 91.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.608 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.441 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 37.5 mt-10 -67.6 -34.48 77.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.358 0.599 . . . . 0.0 109.92 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.497 ' CD1' HG22 ' A' ' 82' ' ' THR . 38.0 t80 -64.49 -49.56 70.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.425 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 1.0 OUTLIER -65.89 -32.53 74.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.733 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 93.7 mtt-85 -67.33 -44.1 79.95 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.61 0.243 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.04 -42.41 99.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.1 mt -65.41 -39.24 91.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.067 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.59 96.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.426 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -79.16 -12.49 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.5 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.497 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -82.88 -14.45 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.171 0.51 . . . . 0.0 110.571 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 105.75 8.67 34.25 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.544 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.32 120.24 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.946 0.403 . . . . 0.0 110.179 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -118.94 -26.44 6.01 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.056 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.495 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 10.0 ttp85 -123.6 99.73 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.588 0.709 . . . . 0.0 110.501 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.586 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.3 t90 -97.74 99.55 10.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.534 -177.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 118' ' ' TYR . 44.8 t -104.49 105.39 18.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.761 0.315 . . . . 0.0 111.219 -174.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.561 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 30.4 m -97.52 109.28 22.06 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.74 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.488 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 62.8 t30 -97.05 96.66 8.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.165 -177.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.7 mm -64.14 -29.11 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.266 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -61.5 -21.8 64.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.218 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -116.4 -8.45 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.411 ' CB ' ' HB2' ' A' ' 133' ' ' GLN . 82.4 mm-40 60.84 33.76 19.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.389 0.614 . . . . 0.0 109.814 -173.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -120.73 150.5 40.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.603 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 129' ' ' THR . 39.0 ttm180 -121.29 108.51 13.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.829 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.417 ' HB2' ' HB ' ' A' ' 109' ' ' VAL . 89.3 m-85 -94.46 133.53 37.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.079 -175.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.74 113.62 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.474 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.495 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 77.3 m-85 -113.63 140.97 47.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.198 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.612 ' HB ' HD11 ' A' ' 127' ' ' LEU . 10.0 t -83.97 167.49 16.88 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.474 ' HE1' ' HA ' ' A' ' 72' ' ' PHE . 47.5 p90 -66.89 -20.69 65.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 110.924 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.26 0.73 20.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.658 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 54.1 t30 64.1 79.18 0.26 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.534 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.5 m -152.53 132.84 13.65 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.132 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.06 103.88 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.044 0.45 . . . . 0.0 109.807 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.612 HD11 ' HB ' ' A' ' 121' ' ' THR . 79.5 mt -80.09 -52.46 7.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.549 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -151.33 158.12 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.922 -177.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 61.5 m -149.8 111.58 4.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.235 177.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -104.88 157.98 16.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.0 t -119.41 132.17 55.78 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.611 -0.435 . . . . 0.0 109.909 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.411 HG12 ' H ' ' A' ' 132' ' ' ILE . 6.6 pt -83.83 -0.4 5.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.539 0.685 . . . . 0.0 110.046 176.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.411 ' HB2' ' CB ' ' A' ' 115' ' ' GLN . 13.0 tm0? . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 171.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.632 ' HA ' HD13 ' A' ' 11' ' ' ILE . 3.2 pt20 -67.6 -14.61 63.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.175 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.92 -38.69 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 48.5 t -65.88 -31.91 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.646 175.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.632 HD13 ' HA ' ' A' ' 8' ' ' GLN . 1.8 mp -67.14 -57.42 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.641 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.528 ' HB3' HD11 ' A' ' 61' ' ' LEU . 80.7 m-85 -66.67 -44.69 81.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.783 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.14 -36.2 82.83 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.47 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 50.9 tt0 -61.67 -39.52 91.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 11' ' ' ILE . 67.6 mt -56.69 -54.85 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -66.79 -38.08 85.82 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.456 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.32 -46.06 78.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB3' ' HE2' ' A' ' 18' ' ' LYS . 37.8 mtpt -75.11 -37.52 61.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.494 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.25 -22.59 31.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.707 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.583 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 12.3 mtm180 -56.53 -36.9 69.75 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.611 173.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -106.77 -41.86 5.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.776 -174.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.85 -32.31 72.73 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 93' ' ' PHE . 66.9 mt 61.19 28.63 18.22 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.499 0.499 . . . . 0.0 110.975 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -91.04 79.12 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.686 0.755 . . . . 0.0 110.67 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -64.9 -31.25 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.042 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -54.73 -55.9 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.591 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -67.98 -38.27 82.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.546 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.556 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 59.1 t80 -55.11 -55.88 26.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.2 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -70.53 -29.13 65.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.597 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 66.6 m -61.84 -51.75 66.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.745 0.307 . . . . 0.0 110.485 177.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' A' ' 35' ' ' HIS . 49.8 mm-40 -68.6 -30.66 69.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.151 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 54.8 mt -58.9 -58.02 10.47 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.254 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -58.8 -34.95 72.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 111.463 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 30' ' ' SER . 78.0 mtp180 -66.41 -41.75 88.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.658 0.266 . . . . 0.0 111.648 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 31' ' ' GLU . 24.3 m-70 -103.78 -59.06 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.482 . . . . 0.0 110.236 -172.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -96.82 85.17 3.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.655 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.8 t -79.18 -17.6 13.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.727 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.54 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 14.8 m -93.21 -83.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.492 -175.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.652 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 7.5 p-80 -176.18 154.6 1.41 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.68 0.276 . . . . 0.0 111.562 -175.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.529 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 51.2 p90 -124.91 139.36 53.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.542 178.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 41' ' ' ILE . 4.5 mp -105.61 101.59 12.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.575 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.608 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 3.3 t80 -95.39 107.88 20.05 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.89 -175.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 106' ' ' PHE . 75.8 m-85 -88.02 124.7 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.521 174.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -77.31 -174.7 3.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.102 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.54 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . 71.29 -66.93 0.28 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.403 0.681 . . . . 0.0 111.531 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.4 p -89.76 -18.5 26.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.264 0.554 . . . . 0.0 109.97 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.442 ' CD ' HH12 ' A' ' 20' ' ' ARG . 5.9 mt-10 65.1 50.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.632 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.603 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 94.9 m-20 -88.74 95.63 10.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.715 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 14.5 t -94.39 107.39 19.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.469 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -90.47 95.43 10.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 58' ' ' THR . 65.0 mt -92.38 106.0 17.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.315 -177.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.54 ' O ' ' HB2' ' A' ' 38' ' ' SER . 44.8 t -86.03 110.57 20.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.1 mt -76.45 170.81 15.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.865 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -70.81 -7.52 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.32 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 66.5 t30 -105.3 20.22 19.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.778 -178.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 11.7 t70 77.32 -35.7 0.22 Allowed 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.015 177.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -57.83 133.88 55.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 46.5 m -106.67 119.93 40.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.187 0.518 . . . . 0.0 110.96 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.9 t -91.31 103.08 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 3.7 pp -93.15 126.63 38.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.181 0.515 . . . . 0.0 110.435 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.603 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 40.5 mt -105.83 146.8 29.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.095 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt . . . . . 0 C--N 1.317 -0.826 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.119 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 37.7 mm . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.07 136.09 32.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.47 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 m -70.57 102.95 2.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.777 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 45' ' ' ALA . 24.6 t -94.62 135.44 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.064 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -99.72 -175.52 3.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.002 0.429 . . . . 0.0 110.861 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.525 ' HD1' ' HB3' ' A' ' 122' ' ' PHE . 27.0 m-85 -109.68 21.02 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.51 0.671 . . . . 0.0 109.259 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.43 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 14.9 m -76.53 166.78 22.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.038 -175.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.77 80.95 1.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.815 176.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.477 ' HB2' ' HA ' ' A' ' 103' ' ' ALA . 4.1 m-20 -106.96 85.3 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.046 0.45 . . . . 0.0 111.088 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.515 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 42.6 ttm180 -69.27 -38.24 78.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.077 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -61.76 -30.58 70.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.9 tp -73.41 -36.58 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.07 -49.29 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.158 0.504 . . . . 0.0 109.858 174.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 41.2 mt-10 -57.39 -48.43 79.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.0 p -66.5 -38.65 87.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.382 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.476 HG22 ' CD1' ' A' ' 96' ' ' TYR . 88.3 m -64.35 -39.95 94.9 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.614 0.245 . . . . 0.0 110.96 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -60.87 -50.03 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -62.39 -39.34 92.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.707 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.595 ' HE2' HG21 ' A' ' 91' ' ' ILE . 81.3 tttt -61.98 -36.62 82.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.337 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.49 ' HA ' HG12 ' A' ' 91' ' ' ILE . 61.3 tp -69.12 -39.66 78.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.995 0.426 . . . . 0.0 110.586 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -75.2 -31.0 60.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.116 0.484 . . . . 0.0 111.041 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.4 p -79.41 -68.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.06 -175.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 89' ' ' ARG . 0.4 OUTLIER -93.76 -2.2 54.02 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -173.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 43.0 mt-10 52.61 67.61 0.96 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.41 0.624 . . . . 0.0 110.707 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.595 HG21 ' HE2' ' A' ' 85' ' ' LYS . 48.2 pt -75.75 175.84 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.064 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.559 ' HB ' ' HG3' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -73.15 142.85 47.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.694 179.64 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.583 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 54.8 t80 -66.8 -24.16 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 110.663 -176.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -66.03 -30.33 70.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.003 174.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.559 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 38.2 mt-10 -75.68 -42.9 49.89 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.16 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.476 ' CD1' HG22 ' A' ' 82' ' ' THR . 73.0 t80 -55.17 -43.08 73.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.465 ' HD2' ' CE2' ' A' ' 93' ' ' PHE . 33.9 mtp180 -70.58 -36.97 73.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.444 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -72.32 -35.65 68.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 111.255 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.428 ' N ' HD22 ' A' ' 99' ' ' ASN . 0.9 OUTLIER -67.87 -35.12 77.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.109 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.4 mt -64.55 -37.51 87.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.889 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.533 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -58.37 -42.33 86.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.198 0.523 . . . . 0.0 110.667 177.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -68.4 -27.45 66.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.037 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.477 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . . . -77.77 -8.24 57.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.365 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 96.61 7.63 57.77 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.355 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.32 102.62 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.078 0.466 . . . . 0.0 110.304 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 55.0 t80 -103.04 -19.14 14.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.236 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.848 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 21.6 ttt180 -118.7 100.17 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.227 0.537 . . . . 0.0 110.912 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.608 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.7 t90 -95.89 103.02 14.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.112 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' ' 107' ' ' ARG . 59.9 t -112.51 101.44 12.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.994 0.426 . . . . 0.0 110.88 -177.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.529 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 93.5 m -102.65 111.02 23.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.025 0.44 . . . . 0.0 110.513 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.652 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 91.5 m-20 -86.57 109.07 18.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.056 175.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.3 mm -64.88 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.18 0.514 . . . . 0.0 110.328 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -63.74 -27.36 69.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.651 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.589 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 2.3 mp0 -93.31 -20.78 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.437 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 61.21 35.62 18.28 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.563 0.697 . . . . 0.0 109.9 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' A' ' 131' ' ' SER . 94.6 mttt -131.55 133.51 45.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.915 -176.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 117' ' ' ARG . 6.6 mtp180 -102.14 102.22 12.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.341 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -87.91 129.7 35.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.528 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -112.4 114.07 26.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.004 0.43 . . . . 0.0 110.483 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.848 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 86.5 m-85 -111.73 143.08 43.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.387 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.493 ' HB ' HD11 ' A' ' 127' ' ' LEU . 9.5 t -78.77 170.21 17.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 171.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.525 ' HB3' ' HD1' ' A' ' 72' ' ' PHE . 61.4 t80 -65.0 -26.03 68.11 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.199 0.524 . . . . 0.0 110.312 -178.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.432 ' HB3' HG23 ' A' ' 121' ' ' THR . 13.0 t70 -61.74 -17.77 57.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.494 174.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 t30 71.11 77.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.527 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -155.92 144.02 19.86 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.716 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.0 tp -72.1 103.6 3.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.893 -176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.493 HD11 ' HB ' ' A' ' 121' ' ' THR . 37.8 mt -86.45 -41.11 14.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.984 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -154.66 148.48 25.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.859 0.361 . . . . 0.0 110.777 -176.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.7 m -128.06 100.22 5.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.053 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -89.76 92.92 9.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.255 0.55 . . . . 0.0 109.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.578 ' HB3' ' HG2' ' A' ' 116' ' ' LYS . 1.4 p -79.41 119.95 23.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.697 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.0 pt -86.72 62.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.062 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.907 179.83 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.62 ' HB2' HG23 ' A' ' 10' ' ' VAL . 7.7 m-20 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.68 -34.1 61.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.478 . . . . 0.0 110.511 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.421 HG13 HD23 ' A' ' 61' ' ' LEU . 61.1 t -57.78 -41.22 79.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.015 178.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 7' ' ' ASP . 92.3 t -62.62 -47.64 91.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.43 -176.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.556 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.7 mp -56.86 -54.35 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.684 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.401 ' O ' ' HD1' ' A' ' 16' ' ' PHE . 56.9 m-85 -65.2 -42.84 93.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.846 0.355 . . . . 0.0 111.46 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.552 ' HA ' HD13 ' A' ' 61' ' ' LEU . 46.7 tttm -63.53 -39.76 95.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.283 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -65.43 -32.62 74.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.572 0.225 . . . . 0.0 111.217 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 11' ' ' ILE . 73.3 mt -62.67 -55.9 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.249 177.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.518 ' HA ' HG12 ' A' ' 19' ' ' VAL . 78.2 m-85 -65.02 -38.05 89.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.288 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.95 -41.43 97.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.704 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -91.3 -30.53 16.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -66.68 -27.9 41.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 O-C-N 122.127 -0.358 . . . . 0.0 110.994 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 39.1 ptt180 -72.57 -7.72 51.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.818 0.342 . . . . 0.0 111.142 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -115.43 -47.16 2.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.682 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -78.05 -25.56 47.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.39 -174.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.423 HD21 ' H ' ' A' ' 93' ' ' PHE . 91.3 mt 66.37 25.38 10.36 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.259 176.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -81.68 84.71 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.093 0.473 . . . . 0.0 109.862 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -74.29 -25.3 59.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.483 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.34 -56.03 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.741 0.305 . . . . 0.0 110.463 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -67.74 -38.19 83.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.472 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.504 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.5 t80 -54.52 -56.94 13.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.474 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -75.1 -20.61 59.39 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -176.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 72.4 m -71.05 -42.53 69.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 0.0 110.284 176.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -67.41 -38.56 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.054 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 54.3 mt -57.92 -46.92 84.26 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -72.66 -14.43 61.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 30' ' ' SER . 54.5 mtm180 -100.12 -3.48 31.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.108 -0.37 . . . . 0.0 111.596 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -130.31 -58.56 1.06 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.112 0.482 . . . . 0.0 110.793 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -86.3 89.52 7.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.291 -176.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.14 -23.31 15.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.662 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 35.4 t -100.79 -89.02 0.35 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.29 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 28.2 p-80 -174.25 158.6 3.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.67 -174.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.624 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 51.9 p90 -125.76 146.05 49.94 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.356 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 41' ' ' ILE . 4.6 mp -111.41 109.99 30.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.803 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.903 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -99.04 108.83 21.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.734 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -80.19 115.95 20.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 108' ' ' TRP . 6.9 mp -72.68 -47.3 48.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -172.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.505 ' HB3' ' HE1' ' A' ' 106' ' ' PHE . . . -81.77 39.68 0.56 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.088 0.471 . . . . 0.0 111.532 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 m -166.15 -36.1 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.363 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 65.57 67.06 0.5 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.649 -174.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.595 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 48.5 t-20 -137.28 113.12 9.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.569 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 t -95.45 120.23 44.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.334 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -101.9 97.7 8.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.474 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.32 109.81 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.669 0.271 . . . . 0.0 110.617 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 38' ' ' SER . 34.9 t -94.88 99.37 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 56' ' ' ASP . 86.5 mt -52.45 -51.64 58.2 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.408 -175.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 33.7 ttpt -177.91 -70.08 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -152.54 16.81 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.002 0.906 . . . . 0.0 108.707 170.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.465 ' HB3' HD12 ' A' ' 53' ' ' LEU . 7.4 t70 -80.07 -60.58 2.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.297 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -167.5 166.62 14.17 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.101 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.2 m -107.28 121.66 45.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.698 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 t -96.26 119.93 44.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -105.71 117.16 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.148 0.499 . . . . 0.0 110.331 177.416 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.595 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 25.8 mt -107.14 107.96 19.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.852 -176.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.286 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.9 mt . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 121.689 0.757 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.2 t -76.1 94.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.287 0.565 . . . . 0.0 110.043 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 t -130.19 20.98 5.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.277 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.646 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 97.8 t -83.21 129.77 36.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.906 -177.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 21.3 mtmm -76.01 142.51 41.84 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 122' ' ' PHE . 23.0 p90 -76.88 50.8 0.74 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.601 0.715 . . . . 0.0 110.345 176.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -143.69 -169.23 3.03 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.297 -173.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HG2' HD21 ' A' ' 127' ' ' LEU . 25.8 mtmm -134.79 81.92 1.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.468 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 8.7 t0 -96.74 87.61 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.899 -171.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -69.83 -31.8 69.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.0 0.429 . . . . 0.0 110.709 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -61.89 -38.82 89.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.183 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 26.0 tp -70.98 -33.77 70.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.462 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.18 -50.24 81.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.828 0.347 . . . . 0.0 110.194 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -54.68 -49.25 71.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.218 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 p -70.55 -33.38 71.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.977 -175.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.51 HG22 ' CD1' ' A' ' 96' ' ' TYR . 80.3 m -66.59 -47.42 72.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.662 0.268 . . . . 0.0 110.815 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.0 m -64.12 -32.86 74.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.696 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.17 -37.68 75.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.083 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.49 -38.75 81.27 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.816 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.17 -42.3 90.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.44 0.638 . . . . 0.0 110.005 176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -71.82 -27.12 62.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.89 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 t -64.88 -70.65 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.526 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 29.1 ttt180 -102.0 -77.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.401 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 10.9 mt-10 179.5 -46.12 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.572 -171.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.2 pt 43.87 -150.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 124.301 1.0 . . . . 0.0 112.129 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 94' ' ' GLN . 24.7 m -133.0 144.09 49.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.423 ' H ' HD21 ' A' ' 23' ' ' LEU . 68.0 t80 -58.58 -31.59 68.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.031 0.443 . . . . 0.0 110.734 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.4 ' H ' HG22 ' A' ' 92' ' ' THR . 52.0 tt0 -63.37 -39.33 94.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.663 178.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.12 -38.48 61.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.056 0.455 . . . . 0.0 110.056 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.51 ' CD1' HG22 ' A' ' 82' ' ' THR . 56.2 t80 -56.09 -48.63 75.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.323 177.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -28.76 63.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.778 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -63.97 -45.58 88.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.979 0.419 . . . . 0.0 110.942 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -73.71 -29.87 62.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 48.3 mt -63.26 -43.09 98.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.86 0.362 . . . . 0.0 110.253 174.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.646 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -59.96 -42.44 94.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.166 0.507 . . . . 0.0 110.231 176.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 35.9 ttpt -68.96 -12.16 61.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.109 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 75' ' ' ASP . . . -90.48 -8.99 48.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.066 0.46 . . . . 0.0 110.558 176.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.64 1.25 40.1 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.05 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.436 HG22 HD12 ' A' ' 127' ' ' LEU . 61.1 t -71.66 108.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.246 0.546 . . . . 0.0 109.956 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.505 ' HE1' ' HB3' ' A' ' 45' ' ' ALA . 81.5 t80 -105.38 -25.0 12.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.929 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.604 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 15.3 mtp180 -122.1 98.48 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.948 -177.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.903 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.5 t90 -83.58 100.88 11.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.8 t -112.7 101.67 12.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.038 0.447 . . . . 0.0 111.001 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.624 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 37.5 m -98.6 110.85 23.38 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.538 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 6.9 m-20 -89.2 98.59 11.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.955 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 51.1 mm -66.96 -29.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -63.11 -16.4 59.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.236 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.635 ' HB3' ' HE2' ' A' ' 116' ' ' LYS . 47.6 mt-10 -125.68 -4.23 7.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 57.25 36.85 27.87 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.525 0.516 . . . . 0.0 110.815 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.635 ' HE2' ' HB3' ' A' ' 114' ' ' GLU . 48.3 mtmt -134.11 151.68 51.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.59 ' HD2' ' OH ' ' A' ' 119' ' ' TYR . 35.8 ttm180 -113.63 118.7 35.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.896 0.379 . . . . 0.0 110.382 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -97.88 135.76 39.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.677 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.59 ' OH ' ' HD2' ' A' ' 117' ' ' ARG . 77.1 m-85 -111.72 107.33 16.39 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.604 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 80.2 m-85 -109.36 143.86 38.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.602 ' HB ' HD11 ' A' ' 127' ' ' LEU . 8.9 t -90.06 175.24 7.24 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 171.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 72' ' ' PHE . 38.6 p90 -70.07 -15.81 63.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.249 0.547 . . . . 0.0 110.107 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.05 -5.59 51.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.779 175.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 64.11 16.32 9.91 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.214 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -86.94 124.94 33.69 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.21 114.57 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 110.31 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.602 HD11 ' HB ' ' A' ' 121' ' ' THR . 67.3 mt -83.36 -55.17 4.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.326 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -151.4 154.96 37.66 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.716 -175.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 46.6 m -134.14 108.0 8.05 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -107.94 114.87 29.11 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.165 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.6 m -69.7 123.48 21.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.644 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.434 HG12 ' H ' ' A' ' 132' ' ' ILE . 4.6 pt -73.44 92.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.248 0.547 . . . . 0.0 111.653 -175.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 . . . . . 0 N--CA 1.465 0.324 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.832 175.276 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 120.358 0.123 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.665 ' HA ' HD13 ' A' ' 11' ' ' ILE . 17.4 pt20 -68.43 -11.51 59.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 HD23 ' A' ' 61' ' ' LEU . 60.9 t -54.24 -43.05 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.973 173.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.66 -39.87 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.926 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 8' ' ' GLN . 1.9 mp -60.46 -53.87 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.766 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.573 ' HB3' HD11 ' A' ' 61' ' ' LEU . 10.6 m-85 -62.36 -42.37 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.279 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -67.67 -37.21 82.06 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.581 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.99 -35.47 66.82 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.816 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.459 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 53.2 mt -61.09 -49.93 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.498 176.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -68.98 -39.73 79.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.382 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.42 -28.74 69.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -72.07 -49.74 33.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.037 0.446 . . . . 0.0 110.402 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.97 -23.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.285 -172.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.576 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 41.0 ptt85 -67.89 -26.58 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.723 -177.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -113.27 -42.64 3.47 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.92 -26.99 30.92 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.199 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt 64.13 29.93 13.93 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.846 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -80.62 76.86 7.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.639 0.733 . . . . 0.0 110.769 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.563 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 75.1 m-85 -63.91 -21.73 66.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.919 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -54.95 -49.1 72.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.662 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.459 ' CZ3' ' HA ' ' A' ' 15' ' ' ILE . 38.6 t90 -84.29 -35.84 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.333 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.599 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 45.6 t80 -53.47 -55.91 21.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.505 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -69.34 -27.68 65.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.577 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.5 m -65.16 -45.9 83.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.71 0.29 . . . . 0.0 110.712 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.45 -27.56 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.497 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 82.0 mt -66.25 -39.53 89.55 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -76.22 -15.27 60.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.383 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -97.25 -31.68 12.3 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -113.84 -46.82 3.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -172.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.411 ' O ' ' HB ' ' A' ' 112' ' ' ILE . 2.0 m-20 -84.62 47.43 1.37 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.558 -173.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.4 t -57.27 -24.96 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.064 -173.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.641 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 12.4 t -96.95 -84.29 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.735 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.542 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 7.1 p-80 -172.43 150.77 2.35 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.23 -0.294 . . . . 0.0 111.116 -177.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.628 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 38.1 p90 -123.72 138.44 54.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.016 0.436 . . . . 0.0 110.507 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 41' ' ' ILE . 4.2 mp -106.75 116.28 50.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.222 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.829 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -102.81 115.03 29.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.052 -177.832 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -95.19 105.2 17.11 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 108' ' ' TRP . 7.1 mp -66.07 -26.25 67.4 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.99 -13.94 58.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.064 0.459 . . . . 0.0 111.847 -175.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 m -123.85 -19.19 5.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.353 0.596 . . . . 0.0 110.766 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 63.79 28.99 14.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.878 -177.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -94.65 131.03 40.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 171.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.6 t -112.36 114.4 46.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.157 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -92.66 95.85 9.83 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.701 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.455 HD13 ' HG ' ' A' ' 61' ' ' LEU . 3.5 mp -86.72 104.86 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.006 0.431 . . . . 0.0 110.054 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 38' ' ' SER . 61.2 t -83.38 116.52 27.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 174.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 56' ' ' ASP . 84.0 mt -70.23 178.83 2.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.888 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -42.09 -55.91 3.04 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.036 0.835 . . . . 0.0 111.992 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -156.48 21.95 0.35 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.107 0.956 . . . . 0.0 108.51 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' A' ' 53' ' ' LEU . 5.8 m-20 -92.03 -88.0 0.21 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.513 -171.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -154.9 -168.97 3.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.768 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.9 m -110.93 114.49 27.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.05 0.452 . . . . 0.0 111.455 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.27 107.2 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.35 114.65 27.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.127 0.489 . . . . 0.0 111.59 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 12' ' ' PHE . 44.9 mt -87.88 116.68 26.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.396 174.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.064 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.373 0.606 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.7 t -95.73 82.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.296 0.569 . . . . 0.0 110.698 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.2 m -108.63 5.09 24.63 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 40.0 t -91.61 120.29 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.25 -178.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -76.97 155.12 32.9 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.504 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -88.97 11.11 19.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.599 0.714 . . . . 0.0 110.243 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.1 m -91.03 -173.78 3.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.559 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.563 ' HB2' HD21 ' A' ' 127' ' ' LEU . 24.8 pttm -150.21 128.18 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.05 0.452 . . . . 0.0 111.05 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -138.32 142.57 39.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.249 172.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -100.42 -14.13 18.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.15 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -75.8 -49.99 16.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.168 -176.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.75 -39.28 88.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.83 -48.28 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.031 0.444 . . . . 0.0 110.439 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.67 -50.59 73.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.467 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -62.01 -46.05 90.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.511 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.526 HG22 ' HD1' ' A' ' 96' ' ' TYR . 40.4 m -63.25 -39.71 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.417 -177.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -67.73 -43.1 80.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.921 0.391 . . . . 0.0 111.142 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -64.76 -48.36 74.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.151 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -63.26 -32.19 73.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.211 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 46.9 tp -56.73 -51.35 69.18 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.202 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 87' ' ' LYS . 24.3 tptp -81.82 -19.52 40.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.115 -176.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.2 m -72.67 -57.89 3.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -91.75 -19.12 22.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.415 . . . . 0.0 110.525 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 22.9 mt-10 57.55 62.05 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.333 -174.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.4 pt -78.58 169.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.31 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -65.03 156.2 32.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.37 0.605 . . . . 0.0 111.849 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.576 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 26.5 t80 -63.57 -23.97 67.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.142 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.24 -43.27 78.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.831 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.8 -42.33 99.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 110.253 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.526 ' HD1' HG22 ' A' ' 82' ' ' THR . 41.6 t80 -60.29 -45.87 91.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.101 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -62.13 -48.87 78.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.693 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -61.7 -40.34 94.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.587 -172.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.7 -35.38 75.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.646 0.26 . . . . 0.0 110.836 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.478 HD22 HG21 ' A' ' 105' ' ' VAL . 71.8 mt -63.27 -41.74 99.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.032 0.444 . . . . 0.0 110.417 175.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.524 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -60.11 -39.74 87.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.839 178.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -69.77 -25.77 63.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.095 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.21 -19.2 43.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.73 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.29 16.7 11.75 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.939 177.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.478 HG21 HD22 ' A' ' 100' ' ' LEU . 66.6 t -76.32 100.51 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.106 0.479 . . . . 0.0 109.944 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -94.21 -31.31 14.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.75 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.474 ' HG2' HG23 ' A' ' 109' ' ' VAL . 33.0 ttp-105 -128.49 108.5 10.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.471 0.653 . . . . 0.0 110.998 -177.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.829 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.5 t90 -97.44 103.51 15.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.23 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.474 HG23 ' HG2' ' A' ' 107' ' ' ARG . 41.2 t -110.94 94.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.01 0.433 . . . . 0.0 111.189 -175.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.773 HG23 ' HG2' ' A' ' 117' ' ' ARG . 93.8 m -86.92 108.32 18.75 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.542 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 41.8 t-20 -99.34 93.86 6.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.718 -176.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.411 ' HB ' ' O ' ' A' ' 36' ' ' ASN . 50.9 mm -64.95 -34.77 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.21 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.641 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 52.3 t-80 -62.3 -26.27 68.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.968 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -109.97 -4.01 16.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.773 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 63.21 37.2 11.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.458 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.413 ' HD2' ' CZ ' ' A' ' 118' ' ' TYR . 76.6 mttt -136.96 158.52 44.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.771 0.319 . . . . 0.0 110.856 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.773 ' HG2' HG23 ' A' ' 110' ' ' THR . 56.3 mtp180 -123.08 102.35 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 172.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.453 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 76.3 m-85 -86.36 137.83 32.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.495 -174.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.423 ' HD2' ' HB3' ' A' ' 128' ' ' PHE . 96.5 m-85 -119.67 109.93 16.23 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.518 176.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.538 ' HB3' ' HA ' ' A' ' 124' ' ' ASN . 97.1 m-85 -111.91 144.54 41.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.492 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.452 HG23 ' H ' ' A' ' 123' ' ' ASP . 9.0 t -89.17 -176.98 5.3 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -56.68 -32.62 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.882 0.373 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.452 ' H ' HG23 ' A' ' 121' ' ' THR . 20.7 t70 -97.52 20.08 12.34 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.494 0.664 . . . . 0.0 110.011 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.538 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 25.5 m-20 73.28 -77.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.537 1.135 . . . . 0.0 109.507 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t 60.95 -42.33 0.11 Allowed 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 125.401 1.481 . . . . 0.0 114.031 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.1 tp 63.86 81.67 0.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.422 0.63 . . . . 0.0 109.381 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 74' ' ' LYS . 95.9 mt -86.43 -33.95 20.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.002 -175.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.423 ' HB3' ' HD2' ' A' ' 119' ' ' TYR . 0.4 OUTLIER -152.87 154.53 35.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.852 -177.413 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 4.5 t -162.87 99.11 0.98 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.643 0.735 . . . . 0.0 110.061 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -89.94 127.34 36.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.968 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.9 t -91.04 119.51 31.26 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.2 pt -79.54 98.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.591 0.71 . . . . 0.0 110.577 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.774 -176.424 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.581 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 8.7 t0 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.325 0.583 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -64.88 -29.43 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.989 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.581 ' HB ' ' OD2' ' A' ' 7' ' ' ASP . 66.0 t -63.35 -34.72 68.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.101 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 98.3 t -58.03 -50.52 77.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.64 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.532 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -58.44 -52.64 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 -177.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.474 ' HA ' HD12 ' A' ' 15' ' ' ILE . 55.2 m-85 -61.57 -41.21 97.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.758 0.313 . . . . 0.0 111.248 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HA ' HD13 ' A' ' 61' ' ' LEU . 37.4 ttpt -63.89 -40.92 97.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.568 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 10' ' ' VAL . 98.0 mt-30 -60.28 -37.57 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.661 0.267 . . . . 0.0 110.826 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 11' ' ' ILE . 82.8 mt -59.04 -58.48 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.681 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.52 ' HA ' HG12 ' A' ' 19' ' ' VAL . 94.6 m-85 -70.23 -32.64 70.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.623 -175.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.49 -45.4 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.058 0.456 . . . . 0.0 110.365 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -72.94 -39.86 65.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.448 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 16' ' ' PHE . 10.8 p -66.55 -27.34 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 122.061 -0.399 . . . . 0.0 110.85 -178.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' HG3' ' HD2' ' A' ' 93' ' ' PHE . 54.5 ttp180 -75.98 -10.79 59.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.1 0.476 . . . . 0.0 110.495 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -113.23 -53.0 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.482 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 19.8 t70 -75.98 -23.39 55.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.872 -176.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt 62.3 34.6 15.75 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.774 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.482 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 51.4 t-20 -88.3 98.34 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.757 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.415 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 97.1 m-85 -89.76 -24.63 21.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -58.15 -50.57 73.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.377 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -74.83 -37.48 62.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.335 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.507 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.9 t80 -50.45 -61.53 2.13 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.144 -175.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -67.94 -29.94 69.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.622 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.508 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 22.3 m -73.09 -37.36 66.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.852 0.358 . . . . 0.0 110.559 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' CD ' HH21 ' A' ' 34' ' ' ARG . 8.3 tp10 -67.92 -41.59 82.4 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.408 0.623 . . . . 0.0 109.758 176.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 93.9 mt -58.05 -42.02 84.54 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.282 175.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -61.92 -28.58 69.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.926 0.393 . . . . 0.0 111.342 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 30' ' ' SER . 52.5 mtm180 -80.19 -22.4 41.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.484 -177.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -121.41 -55.07 1.96 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.005 0.431 . . . . 0.0 111.7 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.04 79.84 5.41 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.325 -176.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 113' ' ' HIS . 42.3 t -65.59 -29.59 47.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.86 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 t -106.9 -87.2 0.48 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.409 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -162.07 155.09 20.34 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.426 -0.509 . . . . 0.0 112.127 -171.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.738 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 41.3 p90 -125.75 144.04 50.79 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 172.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.414 HG23 HG22 ' A' ' 109' ' ' VAL . 4.5 mp -107.95 109.36 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.988 0.423 . . . . 0.0 110.149 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.79 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 13.1 t80 -94.88 111.53 23.32 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 176.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -85.83 116.02 23.83 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.569 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.46 161.43 29.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 74.36 -22.54 0.25 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.708 0.63 . . . . 0.0 112.08 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.1 p -116.73 -23.53 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 66.87 24.09 9.82 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.924 0.393 . . . . 0.0 110.748 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -94.97 113.08 24.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.893 0.378 . . . . 0.0 110.165 179.334 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.92 121.38 54.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.53 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -108.53 102.26 11.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.854 0.359 . . . . 0.0 110.279 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.5 mp -92.18 109.54 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.714 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.02 109.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 57' ' ' ASN . 36.8 mt -54.61 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.526 0.516 . . . . 0.0 111.241 -174.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 55' ' ' ASN . 85.7 tttt -121.03 -32.81 3.86 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 63.3 t30 155.18 -19.38 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.115 -1.402 . . . . 0.0 107.455 -174.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -71.24 -50.09 36.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.268 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.537 ' HB3' HD12 ' A' ' 53' ' ' LEU . 52.5 t30 -123.73 150.96 43.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.964 0.411 . . . . 0.0 111.202 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 51.3 m -139.11 114.08 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.368 177.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.454 HG13 HG22 ' A' ' 9' ' ' VAL . 19.4 t -105.1 126.05 60.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.8 pt? -110.96 121.96 46.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.05 0.452 . . . . 0.0 111.066 -178.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 13' ' ' LYS . 10.4 mt -102.37 105.73 16.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.019 177.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.9 tttp . . . . . 0 C--N 1.322 -0.596 0 CA-C-O 120.879 0.371 . . . . 0.0 110.209 -177.681 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 67' ' ' ILE . 9.0 tp . . . . . 0 C--O 1.235 0.307 0 CA-C-O 122.169 0.985 . . . . 0.0 108.348 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.9 p -54.11 112.52 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.339 -173.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -134.32 13.04 3.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.057 174.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' A' ' 101' ' ' ALA . 8.3 t -89.83 135.56 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.542 -174.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -115.43 153.88 30.27 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.522 ' HD1' ' HE1' ' A' ' 122' ' ' PHE . 55.8 t80 -69.8 88.82 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.379 0.609 . . . . 0.0 110.28 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 m -125.29 156.91 37.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.489 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -132.99 87.82 2.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -136.08 113.85 11.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.012 0.434 . . . . 0.0 110.492 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HG3' ' HD1' ' A' ' 128' ' ' PHE . 20.3 ttt180 -81.37 -27.21 34.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.946 -178.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -68.02 -44.61 76.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.113 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.515 HD23 ' HB2' ' A' ' 103' ' ' ALA . 44.2 tp -59.83 -41.25 90.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.488 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.3 mt -60.0 -48.89 86.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -53.63 -48.27 69.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.413 0.625 . . . . 0.0 110.536 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 85' ' ' LYS . 20.8 m -65.02 -30.75 71.75 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.992 -177.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.2 m -72.8 -45.36 58.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.544 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -58.97 -42.9 91.05 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.016 0.436 . . . . 0.0 110.265 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.23 -42.84 93.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.406 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 81' ' ' THR . 35.3 ttmt -59.47 -37.92 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.129 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 96' ' ' TYR . 55.7 tp -67.31 -51.1 56.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.096 0.474 . . . . 0.0 110.719 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.75 -33.89 76.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.521 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -93.86 -58.7 2.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -84.48 -17.89 37.62 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -170.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 63.12 63.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.47 0.652 . . . . 0.0 110.486 -175.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.453 HG12 ' HA ' ' A' ' 86' ' ' LEU . 35.2 pt -79.69 145.76 8.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.15 171.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -63.97 148.95 48.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.577 0.227 . . . . 0.0 110.845 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.483 ' HD2' ' HG3' ' A' ' 20' ' ' ARG . 47.9 t80 -55.82 -32.81 63.88 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.97 0.414 . . . . 0.0 111.337 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.449 ' HA ' HH21 ' A' ' 97' ' ' ARG . 63.8 tt0 -59.56 -50.56 73.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.608 174.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.25 -34.54 78.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.663 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.477 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 52.0 t80 -59.03 -48.84 80.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.433 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.449 HH21 ' HA ' ' A' ' 94' ' ' GLN . 66.2 mtm180 -69.75 -29.46 66.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.385 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -41.06 95.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.391 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -38.04 75.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.381 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.32 -37.65 87.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HA ' HG13 ' A' ' 70' ' ' VAL . . . -60.58 -36.3 78.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.637 176.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -70.06 -29.57 66.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.415 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.515 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -81.46 -11.34 59.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.505 -178.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 97.14 20.72 22.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.888 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.9 t -86.1 121.02 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.018 0.437 . . . . 0.0 111.169 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -110.43 -26.28 9.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.875 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.858 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 9.4 mpt_? -109.75 110.98 22.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.321 -178.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.79 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 7.4 t-105 -96.31 90.39 5.43 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 169.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.571 ' HB ' ' HB2' ' A' ' 118' ' ' TYR . 46.9 t -106.47 99.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.063 0.458 . . . . 0.0 110.375 -176.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.738 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 52.1 m -95.54 110.7 22.74 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -102.66 111.86 24.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.513 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 47.3 mm -76.73 -33.7 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.386 -175.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 59.3 t-80 -62.14 -44.94 95.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.194 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -85.89 -11.78 52.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.915 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 58.4 44.88 17.57 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.487 0.492 . . . . 0.0 110.3 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -140.32 139.65 35.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.218 -175.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.576 ' HG2' HG23 ' A' ' 110' ' ' THR . 68.4 mtm180 -105.34 110.16 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.617 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.571 ' HB2' ' HB ' ' A' ' 109' ' ' VAL . 70.1 m-85 -92.45 129.07 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.671 -176.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.402 ' HE2' ' HG2' ' A' ' 130' ' ' GLU . 77.6 m-85 -110.59 105.33 14.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.214 176.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.858 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 74.0 m-85 -106.27 150.52 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.365 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.452 HG23 ' H ' ' A' ' 123' ' ' ASP . 10.2 t -88.05 -178.73 6.05 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.522 ' HE1' ' HD1' ' A' ' 72' ' ' PHE . 34.5 p90 -67.57 -19.64 65.29 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.24 0.543 . . . . 0.0 110.684 -176.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' ' 124' ' ' ASN . 12.1 t70 -71.87 -18.08 62.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.975 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 123' ' ' ASP . 89.1 m-20 76.95 15.46 1.91 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.782 -174.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 49.5 m -71.33 131.66 43.75 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.319 171.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 53.9 tp -77.22 105.76 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 110.151 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.1 mt -81.58 -44.55 17.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.373 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.436 ' HD1' ' HG3' ' A' ' 76' ' ' ARG . 33.8 t80 -151.38 143.77 24.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.9 t -138.2 111.26 7.83 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 128' ' ' PHE . 7.3 pt-20 -106.89 129.02 54.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 -177.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 m -80.67 113.77 19.1 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.8 pt -63.82 114.96 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.556 0.693 . . . . 0.0 111.0 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.425 ' OE1' ' HA ' ' A' ' 133' ' ' GLN . 8.8 mm-40 . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.126 -176.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.151 0.501 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.469 ' HA ' HD13 ' A' ' 11' ' ' ILE . 5.2 tp-100 -65.0 -26.44 68.29 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.371 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.444 HG13 HD23 ' A' ' 61' ' ' LEU . 79.1 t -59.18 -36.64 64.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.873 0.368 . . . . 0.0 110.481 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.91 -36.74 77.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.602 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.485 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.0 mp -67.87 -55.46 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.785 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.479 ' HB3' HD11 ' A' ' 61' ' ' LEU . 43.5 m-85 -67.85 -40.46 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HA ' HD13 ' A' ' 61' ' ' LEU . 54.5 tttm -64.23 -38.3 90.55 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.129 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 50.6 tt0 -62.82 -31.58 72.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.465 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 11' ' ' ILE . 66.9 mt -65.95 -55.94 17.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.754 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.625 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 69.5 m-85 -64.24 -45.38 88.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.151 -178.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.659 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -63.1 -26.46 68.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 111.296 179.572 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 21.3 ttmm -71.45 -49.46 41.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.883 0.373 . . . . 0.0 110.594 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 16' ' ' PHE . 9.6 p -67.13 -20.89 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.37 -174.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.659 ' HE ' ' HA ' ' A' ' 17' ' ' ASP . 81.0 mtt-85 -58.12 -34.23 70.0 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.935 0.398 . . . . 0.0 110.887 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -116.32 -38.77 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.588 -173.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.499 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 25.5 t70 -82.55 -28.82 30.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.278 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.7 mt 61.16 32.2 19.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.794 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.499 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 54.2 t-20 -80.61 90.42 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 174.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -78.08 -27.01 48.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.635 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.35 -55.1 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.373 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -70.01 -32.1 70.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.064 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.447 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 75.3 t80 -59.01 -54.08 51.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.617 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -67.02 -35.28 79.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.057 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 22.6 t -61.02 -44.95 96.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.751 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -73.01 -33.66 65.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 77.6 mt -62.22 -44.51 96.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 175.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -72.0 -20.3 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.201 -176.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 30' ' ' SER . 46.7 mtm180 -100.37 -8.53 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -131.4 -52.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.49 ' ND2' ' HD2' ' A' ' 40' ' ' TYR . 39.2 t30 -85.78 87.08 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.354 0.597 . . . . 0.0 109.992 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -74.76 -32.33 28.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.565 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.6 p -101.25 -83.26 0.45 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.128 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -164.77 152.16 11.4 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 122.048 -0.407 . . . . 0.0 111.622 -170.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.707 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 42.7 p90 -128.72 147.27 50.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.111 175.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.78 113.1 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.09 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.794 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.3 OUTLIER -99.82 109.59 21.99 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.01 -178.518 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -86.52 104.11 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 108' ' ' TRP . 5.8 mp -63.87 -38.35 90.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.08 -173.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.776 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -68.06 -44.11 77.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 p -97.32 -5.52 36.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -175.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' CD ' HH12 ' A' ' 20' ' ' ARG . 13.8 tp10 61.92 43.06 9.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.04 0.924 . . . . 0.0 109.378 -176.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -110.07 111.76 23.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.518 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -105.69 115.61 47.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.254 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -103.48 99.26 9.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.603 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.14 108.64 20.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.81 0.338 . . . . 0.0 111.048 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.71 109.24 20.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.86 -75.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.244 0.545 . . . . 0.0 111.584 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -146.66 -70.89 0.24 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -145.11 10.02 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.801 174.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.85 -73.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.5 -175.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -157.69 178.02 10.73 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.973 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.0 m -113.99 111.97 22.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.226 175.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.16 109.91 17.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.753 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.5 pt? -98.26 111.51 23.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.334 0.587 . . . . 0.0 111.072 -178.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 13' ' ' LYS . 19.4 mt -98.88 106.12 18.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.51 178.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 pttp . . . . . 0 C--N 1.319 -0.742 0 CA-C-O 121.34 0.591 . . . . 0.0 110.663 179.794 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 3.3 mp . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.723 0.297 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.776 HG12 ' HA ' ' A' ' 45' ' ' ALA . 8.3 p -85.41 152.56 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.017 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -93.01 108.49 20.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.052 0.453 . . . . 0.0 111.08 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 106' ' ' PHE . 62.0 t -87.59 114.58 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 174.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -95.69 157.72 15.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.487 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -83.19 65.17 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.417 0.627 . . . . 0.0 109.893 174.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.1 m -144.08 91.92 2.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.013 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 103' ' ' ALA . 56.2 pttt -91.9 125.57 36.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.215 -170.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -146.7 130.85 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.71 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -79.24 -28.65 42.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.224 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -68.34 -37.04 80.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.295 -173.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.54 HD23 ' HB2' ' A' ' 103' ' ' ALA . 43.2 tp -62.21 -48.84 78.23 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.72 -47.68 85.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.326 0.584 . . . . 0.0 110.172 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.34 -54.8 41.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.948 178.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.5 m -61.07 -39.48 90.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.5 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.562 HG21 ' HB2' ' A' ' 99' ' ' ASN . 26.1 m -67.72 -34.31 76.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.735 0.303 . . . . 0.0 110.923 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.6 m -67.32 -39.4 85.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.45 . . . . 0.0 110.079 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -67.72 -37.48 82.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.332 175.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -62.56 -44.09 97.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.959 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.558 ' HA ' HG12 ' A' ' 91' ' ' ILE . 47.0 tp -64.25 -44.58 91.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.774 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -68.08 -48.0 66.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.46 -177.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.3 m -79.41 -46.49 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -173.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -100.4 -7.37 24.43 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.679 -172.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 73.4 -46.2 0.63 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.455 0.702 . . . . 0.0 111.429 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.558 HG12 ' HA ' ' A' ' 86' ' ' LEU . 36.0 pt 39.39 -131.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.124 0.97 . . . . 0.0 112.483 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.1 m -145.39 151.12 37.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 47.0 t80 -56.9 -31.63 65.09 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.799 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 2.4 mp0 -59.47 -52.61 64.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.182 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -56.17 -44.02 78.92 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.321 0.388 . . . . 0.0 111.501 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.485 ' HD1' HG22 ' A' ' 82' ' ' THR . 37.5 t80 -56.71 -42.34 78.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.407 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.418 ' HD3' ' CE2' ' A' ' 93' ' ' PHE . 49.4 mtm180 -77.0 -34.84 57.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.576 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 17.5 mmt85 -59.47 -43.16 93.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.213 0.53 . . . . 0.0 110.557 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.562 ' HB2' HG21 ' A' ' 82' ' ' THR . 6.9 m-20 -72.77 -35.39 67.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.205 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.38 -47.19 83.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.329 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.78 71.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.215 0.531 . . . . 0.0 110.427 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -71.61 -21.07 61.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.484 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.54 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -96.26 0.71 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 121' ' ' THR . . . 100.34 6.5 53.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.287 176.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.3 t -78.36 104.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.491 . . . . 0.0 110.506 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.54 ' HB2' HG11 ' A' ' 70' ' ' VAL . 87.5 t80 -104.18 -30.35 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.725 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 70.6 mtp85 -116.48 99.11 6.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.153 -178.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.794 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.4 t90 -91.78 94.34 9.3 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 175.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 41.6 t -103.58 100.38 10.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.823 0.344 . . . . 0.0 110.57 -178.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.707 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 36.8 m -90.76 118.34 30.1 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -101.82 104.13 14.87 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.114 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.5 mm -70.97 -32.5 48.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.354 -176.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.15 -33.82 75.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.048 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -94.95 -15.05 23.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.62 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.544 ' HG3' HG13 ' A' ' 132' ' ' ILE . 3.9 tp60 68.69 31.81 4.43 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.518 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -136.2 147.72 47.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.165 0.507 . . . . 0.0 111.803 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -95.56 135.17 37.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -116.67 110.96 19.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.834 0.349 . . . . 0.0 110.314 176.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -93.94 106.15 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.725 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 97.7 m-85 -101.68 138.54 38.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.237 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.564 ' HB ' HD11 ' A' ' 127' ' ' LEU . 1.6 t -69.83 172.24 7.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.121 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.95 -34.85 73.81 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.54 10.03 8.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.021 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 65.4 t30 61.6 85.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.796 0.838 . . . . 0.0 111.76 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 120' ' ' TYR . 22.9 t -157.36 142.12 16.71 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.496 HD11 ' HB ' ' A' ' 129' ' ' THR . 48.2 tp -72.38 99.31 2.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.992 0.425 . . . . 0.0 111.085 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.564 HD11 ' HB ' ' A' ' 121' ' ' THR . 33.9 mt -78.43 -45.92 21.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.344 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -149.4 141.13 23.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.056 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.496 ' HB ' HD11 ' A' ' 126' ' ' LEU . 15.3 t -135.0 142.59 46.47 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -141.8 142.33 33.2 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 m -92.32 125.27 36.91 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.328 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.544 HG13 ' HG3' ' A' ' 115' ' ' GLN . 12.5 pt -75.01 98.89 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.134 0.492 . . . . 0.0 110.428 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.058 -175.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.834 0.35 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.02 -27.15 68.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.03 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.17 -40.28 76.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.309 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.73 -41.85 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.186 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.8 mp -64.58 -49.28 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.587 178.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.412 ' CZ ' HD21 ' A' ' 53' ' ' LEU . 7.0 m-85 -64.58 -41.61 96.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.62 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 7.7 ttpp -71.04 -18.57 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.109 -0.637 . . . . 0.0 109.8 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -76.57 -39.47 52.58 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.735 ' HA ' ' HZ2' ' A' ' 27' ' ' TRP . 88.6 mt -58.77 -55.67 21.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.672 176.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -64.72 -30.18 71.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.195 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.62 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 5.6 t70 -74.26 -39.99 62.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.819 0.342 . . . . 0.0 110.376 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -50.28 72.09 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.244 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.49 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 13.0 p -74.43 -25.48 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -63.09 -41.59 99.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.586 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -102.37 -26.78 13.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -94.87 -25.44 16.59 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.811 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD11 ' HA ' ' A' ' 92' ' ' THR . 53.2 mt 66.51 27.67 9.66 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.419 0.628 . . . . 0.0 111.085 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.49 ' OD1' ' HA ' ' A' ' 19' ' ' VAL . 16.8 p-10 -86.29 64.56 8.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.336 177.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -58.63 -24.43 61.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.258 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -40.82 77.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.415 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.735 ' HZ2' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -71.72 -35.49 70.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.367 0.603 . . . . 0.0 110.082 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -75.85 -43.54 45.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.046 -163.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -67.86 -31.17 70.8 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.255 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.528 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 20.4 t -76.82 -38.94 52.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -56.94 -52.17 66.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.652 176.231 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.88 -47.35 80.69 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.163 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 37' ' ' VAL . 78.7 tttt -60.85 -24.51 65.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 0.0 111.468 -174.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 30' ' ' SER . 75.9 mtp180 -75.08 -47.08 30.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.246 0.546 . . . . 0.0 110.848 177.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' HB3' ' HZ ' ' A' ' 12' ' ' PHE . 44.8 m80 -100.77 -64.1 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.256 -173.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -87.22 80.19 8.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.327 0.584 . . . . 0.0 110.456 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.477 HG21 ' HD3' ' A' ' 54' ' ' LYS . 5.9 t -85.41 -1.57 7.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.999 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.527 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 14.5 t -103.11 -81.7 0.5 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -176.52 146.08 0.59 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.507 0.194 . . . . 0.0 110.848 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.61 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 27.1 p90 -118.83 134.19 55.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 172.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.533 HG23 HG22 ' A' ' 109' ' ' VAL . 55.6 mt -102.4 106.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.765 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.616 ' HB3' ' CD1' ' A' ' 108' ' ' TRP . 0.4 OUTLIER -95.82 118.86 33.27 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.817 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -92.94 104.89 17.08 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.578 ' CD2' ' HG3' ' A' ' 97' ' ' ARG . 9.7 mt -57.49 -47.32 82.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -173.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.58 ' HB3' ' HE1' ' A' ' 106' ' ' PHE . . . -72.18 -32.98 67.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.443 HG22 HD22 ' A' ' 48' ' ' ASN . 3.7 m -87.71 -15.51 36.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.839 0.352 . . . . 0.0 111.559 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 61.62 19.76 10.71 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.612 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.443 HD22 HG22 ' A' ' 46' ' ' THR . 9.8 m-80 -109.88 133.07 53.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.479 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.3 t -113.91 121.85 66.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.324 -176.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -102.52 99.34 9.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.809 0.338 . . . . 0.0 110.092 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.563 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.7 mp -93.82 101.81 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.083 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 38' ' ' SER . 22.6 t -88.95 107.05 17.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 60.9 mt -74.0 166.4 23.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.928 -177.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HD3' HG21 ' A' ' 37' ' ' VAL . 24.7 pttm -64.14 -22.44 66.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.047 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.47 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 66.4 t30 -93.22 22.94 4.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.262 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 9.7 t70 76.47 -36.75 0.27 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.66 174.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -55.21 126.81 26.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.035 0.445 . . . . 0.0 110.94 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 32.2 m -106.22 122.05 45.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.759 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.8 t -94.17 132.99 36.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.645 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 58.5 tp -112.75 109.27 18.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.761 0.315 . . . . 0.0 110.795 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.486 HD22 ' HB2' ' A' ' 13' ' ' LYS . 25.5 mt -98.75 158.18 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.508 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.876 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 67' ' ' ILE . 9.4 tp . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 122.201 1.001 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 p -85.71 28.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.764 0.792 . . . . 0.0 111.207 -174.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 m -81.61 -7.25 59.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.726 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.45 HG22 ' HB1' ' A' ' 101' ' ' ALA . 73.3 t -70.16 117.69 13.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.031 177.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.551 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 75.3 mmtt -91.87 158.55 16.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.506 -176.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -80.63 75.41 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.5 m -119.07 174.92 6.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.387 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -139.71 35.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.659 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 79' ' ' ILE . 2.6 m-20 -76.41 77.89 3.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.698 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -65.26 -32.87 74.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.627 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -66.07 -32.83 74.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.439 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.6 tp -72.02 -37.08 69.84 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 75' ' ' ASP . 67.6 mt -60.15 -48.24 88.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.997 174.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -55.2 -49.94 70.66 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.663 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.6 m -60.23 -40.92 91.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.06 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.427 HG21 ' HG ' ' A' ' 100' ' ' LEU . 52.4 m -65.2 -48.65 72.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.5 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.402 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 10.6 t -63.91 -41.82 97.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.077 0.465 . . . . 0.0 110.191 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -64.89 -39.14 93.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HG2' HG21 ' A' ' 91' ' ' ILE . 35.0 ttpt -64.81 -36.74 85.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.687 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' ' 91' ' ' ILE . 56.9 tp -68.73 -48.18 64.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.987 0.422 . . . . 0.0 109.967 175.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -57.28 -32.69 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.461 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -92.78 -58.44 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.199 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -97.72 -2.4 41.33 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -168.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 56.77 51.3 11.1 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.668 0.27 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.569 HG12 ' HA ' ' A' ' 86' ' ' LEU . 36.4 pt -67.17 155.82 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 -177.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.569 ' HA ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -61.93 157.39 18.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.124 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -60.53 -28.67 68.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.349 0.595 . . . . 0.0 109.49 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -59.37 -55.38 35.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.573 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.58 -43.77 89.56 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.2 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.402 ' HE1' ' HA ' ' A' ' 83' ' ' SER . 38.0 t80 -60.11 -56.76 17.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.789 -178.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.578 ' HG3' ' CD2' ' A' ' 44' ' ' LEU . 33.2 ttt180 -64.55 -37.49 87.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.907 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 98' ' ' ARG . 23.5 ttt180 -60.33 -49.33 78.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.813 0.34 . . . . 0.0 111.794 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -69.48 -32.1 70.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.993 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.427 ' HG ' HG21 ' A' ' 82' ' ' THR . 96.0 mt -67.51 -38.53 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.936 0.398 . . . . 0.0 110.594 177.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.45 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -61.94 -39.89 93.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.017 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -70.65 -25.16 62.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.786 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . . . -70.41 -13.81 62.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.48 -177.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 101.56 10.0 42.29 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.395 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.9 t -80.05 116.74 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.925 0.393 . . . . 0.0 110.098 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.58 ' HE1' ' HB3' ' A' ' 45' ' ' ALA . 86.0 t80 -100.89 -31.43 11.15 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.833 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 98.1 mtt180 -119.43 102.77 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.664 ' H ' ' HD1' ' A' ' 108' ' ' TRP . 0.1 OUTLIER -104.53 101.73 11.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.28 1.038 . . . . 0.0 108.573 168.249 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.533 HG22 HG23 ' A' ' 41' ' ' ILE . 22.4 t -109.67 114.51 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.014 -1.448 . . . . 0.0 110.156 -172.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.61 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 17.6 m -96.54 104.09 16.04 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.09 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.425 ' OD1' HG12 ' A' ' 109' ' ' VAL . 3.9 m-20 -91.73 106.12 18.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.269 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.95 -35.26 68.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.527 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 51.4 t-80 -63.42 -33.72 76.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.079 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.01 -9.06 23.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 62.4 29.91 17.26 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.926 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -139.13 144.16 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.96 0.409 . . . . 0.0 111.384 -176.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.527 ' HB3' ' HB3' ' A' ' 130' ' ' GLU . 24.8 ttm-85 -101.74 112.94 25.7 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 80.4 m-85 -91.83 123.15 34.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.489 ' CZ ' ' HD2' ' A' ' 117' ' ' ARG . 95.1 m-85 -102.38 104.62 15.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.938 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.833 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 94.6 m-85 -106.33 141.12 38.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.402 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.577 ' HB ' HD11 ' A' ' 127' ' ' LEU . 15.0 t -79.11 179.38 7.4 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.79 -37.75 82.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.934 0.397 . . . . 0.0 110.78 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -87.56 42.09 1.02 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 49.84 21.94 0.77 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.692 1.197 . . . . 0.0 113.56 172.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.446 ' HB2' HG22 ' A' ' 121' ' ' THR . 16.0 m -95.25 132.4 40.26 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 122.199 -0.313 . . . . 0.0 110.576 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 66.0 tp -72.96 113.97 10.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.34 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.577 HD11 ' HB ' ' A' ' 121' ' ' THR . 91.1 mt -91.03 -61.3 1.7 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.144 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -133.52 148.0 51.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.85 0.357 . . . . 0.0 110.715 -174.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 21.7 m -123.55 109.83 14.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.69 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 117' ' ' ARG . 33.8 tt0 -99.4 105.65 17.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.29 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.2 m -78.98 108.49 12.5 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.528 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.5 pt -80.01 81.59 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.522 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.954 -177.735 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.035 0.445 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.448 ' OE1' HG22 ' A' ' 59' ' ' VAL . 36.8 tt0 -51.99 -33.11 36.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.665 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.9 -39.57 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.49 ' HA ' ' HG2' ' A' ' 13' ' ' LYS . 92.5 t -65.52 -43.38 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.146 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.531 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.1 mp -57.88 -51.97 63.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.295 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.543 ' HB2' HD21 ' A' ' 61' ' ' LEU . 56.0 m-85 -68.79 -44.1 74.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.412 . . . . 0.0 112.029 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.553 ' HA ' HD13 ' A' ' 61' ' ' LEU . 54.2 pttt -65.6 -30.74 71.51 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.594 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 55.9 tt0 -71.29 -32.33 68.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.581 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 11' ' ' ILE . 72.4 mt -62.46 -48.32 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.037 0.446 . . . . 0.0 110.177 176.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -70.58 -30.21 66.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.832 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.478 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 29.6 t70 -67.65 -39.32 84.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.121 0.486 . . . . 0.0 110.811 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 28.8 mmmt -67.57 -44.49 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.309 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.85 -27.86 31.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.845 -175.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.556 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 39.2 ptt180 -79.17 -17.84 54.19 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.171 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.401 ' OD1' ' HG3' ' A' ' 20' ' ' ARG . 6.5 m-20 -109.28 -44.72 3.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.494 -178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.32 -20.28 19.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.303 -174.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt 62.38 33.14 16.54 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.483 0.49 . . . . 0.0 111.24 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -83.51 77.75 9.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.684 0.754 . . . . 0.0 110.348 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -66.89 -31.05 71.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.054 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -61.45 -49.5 76.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.528 0.204 . . . . 0.0 110.949 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -69.69 -31.01 68.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.223 0.535 . . . . 0.0 110.197 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.602 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.5 t80 -67.59 -51.56 48.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.402 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -60.19 -43.13 96.16 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.675 0.274 . . . . 0.0 111.702 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 6.3 p -65.68 -40.06 91.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.269 -176.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -70.9 -30.68 67.09 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.449 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 83.3 mt -63.24 -45.83 89.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 175.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HA ' HG21 ' A' ' 112' ' ' ILE . 2.0 tmtp? -64.74 -30.36 71.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 -178.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 30' ' ' SER . 47.2 mtp180 -75.62 -31.71 59.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.975 -177.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -121.71 -48.31 2.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -170.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -81.92 36.31 0.45 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.446 0.298 . . . . 0.0 110.903 -175.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.608 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 17.7 t -51.33 -37.74 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.134 -172.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 39.4 m -77.35 -81.26 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.556 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -172.79 149.57 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.461 0.172 . . . . 0.0 110.575 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.627 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 52.5 p90 -118.13 137.19 53.12 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.52 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 63.6 mt -104.01 109.78 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.282 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.672 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.2 t80 -100.62 125.85 47.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.929 -177.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.431 ' HD2' ' HB2' ' A' ' 48' ' ' ASN . 25.6 m-85 -99.07 112.58 24.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 97' ' ' ARG . 56.2 mt -71.03 -3.31 18.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.213 -174.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.87 -61.01 1.72 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.737 0.303 . . . . 0.0 111.481 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 p -94.53 -6.4 43.84 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -174.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.654 ' HB2' HD13 ' A' ' 67' ' ' ILE . 33.1 tt0 64.61 33.3 10.82 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.961 0.886 . . . . 0.0 109.438 -177.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' HB2' ' HD2' ' A' ' 43' ' ' TYR . 11.2 m120 -96.16 138.45 33.75 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 t -129.71 128.76 65.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.832 0.349 . . . . 0.0 110.952 -176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.52 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 40.6 m-70 -103.01 99.34 9.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.029 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.3 mp -90.69 97.27 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.902 0.382 . . . . 0.0 110.081 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.522 ' O ' ' HB2' ' A' ' 38' ' ' SER . 20.8 t -82.74 113.93 22.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.0 mt -71.13 170.38 13.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.146 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.608 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 8.7 ttpp -84.05 13.23 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 64.4 t30 -138.15 48.56 1.97 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.278 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 7.3 t70 78.23 -45.08 0.41 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 167.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.65 144.02 54.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.893 0.378 . . . . 0.0 111.453 -176.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.7 m -122.97 129.53 51.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 19.1 t -93.47 119.17 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.016 178.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 tp -100.83 109.2 21.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.091 0.472 . . . . 0.0 111.129 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 13' ' ' LYS . 74.5 mt -93.18 142.6 27.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.973 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.315 -178.92 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.654 HD13 ' HB2' ' A' ' 47' ' ' GLU . 3.0 mp . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.2 t 42.62 66.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.462 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.9 m -105.35 3.28 29.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.046 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 44.2 t -76.33 122.92 31.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.084 -175.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.474 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 65.8 mmtt -104.27 159.56 15.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.012 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -79.63 78.62 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.6 m -141.55 177.58 8.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.623 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -149.82 32.25 0.7 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.618 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.66 131.08 34.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.554 -172.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -90.83 -16.22 28.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.906 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -67.71 -49.6 61.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.073 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.4 tp -63.22 -32.23 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.616 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.61 -52.84 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.211 0.529 . . . . 0.0 109.813 174.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.8 -37.57 84.86 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.018 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 m -65.26 -45.11 85.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.695 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -69.08 -31.91 70.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.136 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -62.77 -47.64 82.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.076 0.465 . . . . 0.0 109.894 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -68.1 -30.3 69.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.825 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -61.0 -48.47 81.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.117 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 90' ' ' GLU . 26.0 tp -62.92 -38.68 91.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.423 177.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -67.42 -47.46 70.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.009 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.5 t -82.5 -51.42 7.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.922 -174.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -96.6 -12.38 24.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -172.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.498 ' O ' HD12 ' A' ' 86' ' ' LEU . 36.6 tt0 72.48 -51.23 0.7 Allowed 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.756 0.66 . . . . 0.0 111.461 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.4 pt 46.79 -164.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.649 1.18 . . . . 0.0 112.767 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.0 m -105.42 147.27 28.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.891 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.556 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 66.2 t80 -56.94 -34.14 67.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.209 0.528 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.546 ' HG3' HH21 ' A' ' 97' ' ' ARG . 59.3 tt0 -60.01 -44.24 94.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.791 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -71.34 -35.6 71.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.49 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -56.67 -50.03 73.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.311 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.546 HH21 ' HG3' ' A' ' 94' ' ' GLN . 72.1 mtm180 -60.06 -42.07 93.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 60.8 mtp180 -53.87 -57.98 8.93 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.037 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -72.91 -23.57 60.72 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -172.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.72 -40.81 76.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.085 0.469 . . . . 0.0 109.908 173.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -68.31 -33.42 74.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 177.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 74.6 mmtt -62.85 -22.72 66.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.066 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.34 -11.65 59.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 109.33 3.11 31.2 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.777 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.23 121.45 33.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.027 0.441 . . . . 0.0 110.385 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.581 ' HB3' ' HA ' ' A' ' 122' ' ' PHE . 69.0 t80 -118.21 -27.31 6.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.901 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 1.063 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 2.3 tpp180 -109.18 95.44 5.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.263 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.672 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.1 t90 -88.9 102.94 15.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.496 HG23 ' HG3' ' A' ' 107' ' ' ARG . 66.5 t -117.2 111.98 37.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.771 0.32 . . . . 0.0 110.587 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.627 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 29.1 m -108.6 113.18 25.96 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.071 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -89.24 105.7 17.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.537 HG21 ' HA ' ' A' ' 33' ' ' LYS . 49.8 mm -73.87 -28.3 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.503 -175.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.518 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 16.4 t-80 -66.8 -34.26 77.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.225 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -96.39 -7.44 35.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.754 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 55.12 43.64 29.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.479 0.657 . . . . 0.0 109.332 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.48 ' HE2' HG21 ' A' ' 129' ' ' THR . 75.1 tttt -131.43 121.58 24.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.651 -168.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -101.11 120.43 40.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.933 0.397 . . . . 0.0 110.571 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.416 ' OH ' ' HD3' ' A' ' 116' ' ' LYS . 84.4 m-85 -102.7 142.41 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.81 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.465 ' CD1' ' HB3' ' A' ' 128' ' ' PHE . 96.2 m-85 -117.87 112.86 20.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.237 175.313 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 1.063 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 95.9 m-85 -113.42 142.8 45.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.285 0.365 . . . . 0.0 110.68 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.462 ' HB ' HD11 ' A' ' 127' ' ' LEU . 15.3 t -72.07 -179.02 2.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.502 175.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.581 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 35.1 p90 -60.32 -29.72 69.05 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.402 ' H ' HG23 ' A' ' 121' ' ' THR . 28.2 t70 -87.81 2.98 49.96 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.316 179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 5.1 t30 66.14 71.7 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.526 -177.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 120' ' ' TYR . 15.1 m -131.78 139.42 48.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.782 175.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.419 HD11 ' OG1' ' A' ' 129' ' ' THR . 29.6 tp -71.14 115.23 10.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.117 0.485 . . . . 0.0 111.291 -173.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.462 HD11 ' HB ' ' A' ' 121' ' ' THR . 94.0 mt -101.49 -46.77 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.708 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.465 ' HB3' ' CD1' ' A' ' 119' ' ' TYR . 20.9 t80 -141.95 149.03 39.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.48 HG21 ' HE2' ' A' ' 116' ' ' LYS . 9.4 m -145.11 117.85 8.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.696 0.284 . . . . 0.0 110.273 177.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -132.01 134.59 45.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 70.3 m -80.13 127.58 32.49 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.5 pt -82.47 95.87 3.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.342 0.592 . . . . 0.0 111.543 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.279 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.134 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.556 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 21.8 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.944 0.402 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -65.47 -26.91 68.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.584 -176.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.556 ' HB ' ' OD2' ' A' ' 7' ' ' ASP . 72.2 t -61.15 -37.58 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.468 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 7' ' ' ASP . 58.3 t -62.39 -46.14 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.631 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.2 mp -58.2 -51.51 70.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.711 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -60.83 -47.32 86.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.251 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 22.0 ttpp -60.21 -44.57 95.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.759 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -59.66 -36.65 76.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.637 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 11' ' ' ILE . 72.7 mt -60.2 -46.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 109.954 176.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' HA ' HG12 ' A' ' 19' ' ' VAL . 75.5 m-85 -69.62 -40.18 76.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.219 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' OD2' ' HG2' ' A' ' 13' ' ' LYS . 6.0 m-20 -54.81 -41.87 71.17 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.95 0.405 . . . . 0.0 110.966 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -76.24 -51.16 12.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.863 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -61.5 -27.24 41.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 16' ' ' PHE . 19.3 mtm180 -58.16 -31.67 67.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.67 0.271 . . . . 0.0 111.614 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -117.9 -26.25 6.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.011 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.32 -40.75 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 92' ' ' THR . 64.3 mt 71.48 13.79 6.42 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -77.54 124.36 27.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.079 174.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -101.54 -21.08 14.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -66.18 -52.78 44.83 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.75 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -68.45 -36.46 79.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.593 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 56.4 t80 -58.55 -58.98 6.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.87 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -68.36 -30.78 69.8 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 34' ' ' ARG . 24.0 t -62.78 -51.24 67.87 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -69.39 -26.88 64.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.82 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 29.9 mt -59.34 -58.81 6.97 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.482 174.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -69.63 -20.24 63.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.447 . . . . 0.0 110.649 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 30' ' ' SER . 29.7 ttp85 -89.9 -5.8 56.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.85 0.357 . . . . 0.0 111.382 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -130.63 -58.32 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.523 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' A' ' 40' ' ' TYR . 33.1 t30 -83.56 90.28 7.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.31 0.576 . . . . 0.0 109.896 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.75 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 13.5 t -86.3 -5.82 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.607 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.84 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 52.5 m -117.01 -91.74 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.722 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 9.8 p-80 -161.25 144.41 12.69 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.749 0.309 . . . . 0.0 111.812 -175.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.488 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 50.0 p90 -117.64 136.3 53.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 173.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.518 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 48.8 mt -101.81 103.34 14.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.827 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.941 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -93.01 117.47 30.1 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.89 -176.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -97.69 106.44 18.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.715 0.293 . . . . 0.0 110.953 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' H ' HD12 ' A' ' 44' ' ' LEU . 5.7 mp -69.09 -8.83 48.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 0.0 110.842 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.407 ' HA ' HG23 ' A' ' 70' ' ' VAL . . . -76.67 -28.88 56.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.353 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.58 HG23 HG12 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -131.3 -1.18 4.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.596 -175.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.544 ' HB3' ' O ' ' A' ' 63' ' ' GLY . 2.9 tp10 61.11 23.16 13.38 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.784 0.802 . . . . 0.0 109.564 -173.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -99.62 138.62 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.189 -179.614 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.7 t -124.41 128.61 73.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.165 -174.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.518 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 5.1 m80 -99.53 89.82 4.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.005 175.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 5.0 mp -85.19 98.7 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.857 0.361 . . . . 0.0 110.108 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 38' ' ' SER . 39.2 t -88.05 106.11 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.1 mt -70.37 -173.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.611 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.75 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 11.0 ttpp -47.27 -63.67 0.98 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.489 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -160.15 21.46 0.16 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.2 -73.91 0.44 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.489 -170.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -163.25 176.78 9.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.4 m -104.18 124.25 48.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.874 0.369 . . . . 0.0 110.172 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.574 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 21.9 t -95.41 127.19 47.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 60.7 tp -113.21 113.89 25.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.664 0.269 . . . . 0.0 110.47 -177.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.538 HD23 HG13 ' A' ' 9' ' ' VAL . 27.3 mt -96.78 146.67 24.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.156 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -131.59 115.36 15.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.016 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.544 ' O ' ' HB3' ' A' ' 47' ' ' GLU . . . -138.19 178.49 19.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.652 177.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 37.21 61.35 0.94 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.528 0.731 . . . . 0.0 112.249 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -68.8 92.31 0.48 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.51 0.671 . . . . 0.0 111.027 -176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -146.15 -44.94 0.2 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.101 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.649 HG22 HG23 ' A' ' 68' ' ' VAL . 40.0 mt 71.86 147.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.683 175.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.649 HG23 HG22 ' A' ' 67' ' ' ILE . 37.7 t 66.71 69.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.467 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -115.79 10.42 15.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.751 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.533 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 6.3 t -115.34 147.34 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.882 -174.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 37.0 mtpt -118.47 139.87 50.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -77.94 76.18 4.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.354 0.597 . . . . 0.0 109.941 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.3 m -139.11 78.5 1.68 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.653 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.588 ' HE2' HD21 ' A' ' 127' ' ' LEU . 13.3 ptmm? -75.51 105.55 6.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.253 -171.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -132.44 134.91 45.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.907 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -84.03 -28.9 27.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.167 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.451 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 65.8 t-80 -74.3 -37.68 63.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.7 tp -59.06 -32.08 69.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.945 0.402 . . . . 0.0 110.305 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.44 -52.62 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.524 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -67.59 -31.37 71.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.705 -176.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.3 m -67.63 -36.03 80.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.126 0.488 . . . . 0.0 110.365 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.559 HG22 ' CD1' ' A' ' 96' ' ' TYR . 37.6 m -73.88 -38.42 64.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.411 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 11.6 p -69.92 -32.81 71.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.347 . . . . 0.0 110.42 177.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.67 -37.31 87.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.783 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.676 ' HE2' HG21 ' A' ' 91' ' ' ILE . 77.7 tttt -67.05 -40.24 87.08 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.262 0.554 . . . . 0.0 109.868 177.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 90' ' ' GLU . 32.4 tp -66.04 -37.79 86.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.427 177.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -57.75 -44.9 86.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.264 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.3 m -78.25 -70.26 0.5 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.507 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 4.1 mmp_? -100.34 -14.69 18.28 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -172.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' A' ' 86' ' ' LEU . 46.9 mt-10 70.26 -12.52 0.5 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.255 0.622 . . . . 0.0 111.981 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.676 HG21 ' HE2' ' A' ' 85' ' ' LYS . 6.5 pt 35.35 -103.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.538 1.135 . . . . 0.0 113.518 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.507 ' HA ' HD11 ' A' ' 23' ' ' LEU . 8.1 m -154.7 138.71 16.4 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.569 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 72.8 t80 -61.95 -30.93 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 111.372 -173.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 4.8 pt20 -67.66 -41.36 83.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.919 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.73 -38.16 76.75 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.973 0.416 . . . . 0.0 110.036 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.559 ' CD1' HG22 ' A' ' 82' ' ' THR . 69.0 t80 -52.47 -44.68 65.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.405 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 97' ' ' ARG . 46.6 mtm180 -79.7 -21.34 44.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.809 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 18.4 mmm180 -67.12 -43.83 81.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.11 -34.94 75.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.56 -38.89 90.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.362 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 70' ' ' VAL . . . -65.56 -30.05 70.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.188 0.518 . . . . 0.0 110.372 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -76.78 -15.24 59.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.114 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.566 ' O ' ' HA ' ' A' ' 74' ' ' LYS . . . -94.1 4.92 53.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.213 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 81.21 20.75 64.08 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.133 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.1 t -82.96 99.95 6.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.17 0.51 . . . . 0.0 110.264 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -93.85 -30.53 14.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.593 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.72 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 68.5 mtt180 -116.41 100.42 7.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.23 0.538 . . . . 0.0 111.703 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.941 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.4 t90 -86.93 92.49 9.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 172.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.422 HG22 HG23 ' A' ' 41' ' ' ILE . 56.7 t -105.1 97.39 5.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.055 0.455 . . . . 0.0 110.751 -175.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 82.5 m -92.98 104.76 16.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.045 0.45 . . . . 0.0 110.127 178.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.553 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 59.8 t30 -98.99 84.97 3.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.798 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 43.7 mm -59.24 -34.25 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.549 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.84 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 11.4 t-160 -59.31 -26.31 64.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.246 -177.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 115' ' ' GLN . 18.8 tt0 -114.62 -4.04 12.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.837 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.49 ' HA ' HD11 ' A' ' 132' ' ' ILE . 28.9 mm-40 74.48 21.87 2.22 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.372 0.669 . . . . 0.0 112.359 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -117.91 142.6 47.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.051 0.453 . . . . 0.0 111.615 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.512 ' HB2' HG23 ' A' ' 132' ' ' ILE . 25.2 ttp180 -111.03 107.6 17.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 169.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -95.75 136.58 35.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.217 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -112.33 110.3 20.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.489 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.72 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 93.1 m-85 -111.16 148.4 32.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.086 0.469 . . . . 0.0 111.123 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.6 t -84.84 178.45 7.61 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 170.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -62.65 -33.67 75.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.17 0.51 . . . . 0.0 110.729 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.14 24.83 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.64 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 53.67 16.58 1.01 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.234 1.414 . . . . 0.0 114.159 173.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.7 m -73.67 135.36 43.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.9 tp -69.92 116.3 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.588 HD21 ' HE2' ' A' ' 74' ' ' LYS . 94.5 mt -86.68 -48.24 8.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.019 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -165.26 167.13 18.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.539 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 t -155.93 154.12 30.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -148.11 160.66 42.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.448 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.7 m -81.55 135.32 35.58 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.512 HG23 ' HB2' ' A' ' 117' ' ' ARG . 1.3 pp -79.58 75.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -174.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.613 176.61 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 121.455 0.645 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.497 ' OE1' HG22 ' A' ' 59' ' ' VAL . 36.2 tt0 -61.45 -26.49 67.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.682 -175.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG13 HD23 ' A' ' 61' ' ' LEU . 77.9 t -62.69 -38.24 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.078 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -59.82 -56.64 16.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.179 -177.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 11' ' ' ILE . 3.9 mp -57.61 -51.07 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.132 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.606 ' HB3' HD11 ' A' ' 61' ' ' LEU . 40.4 m-85 -67.78 -40.45 84.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -64.14 -37.61 88.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -66.09 -29.28 69.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.367 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 11' ' ' ILE . 74.3 mt -63.8 -51.26 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.484 ' HA ' HG12 ' A' ' 19' ' ' VAL . 44.4 m-85 -66.64 -27.03 67.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.22 -48.58 64.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.234 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 7.9 mptt -75.91 -31.63 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.025 -175.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 16' ' ' PHE . 10.0 p -71.33 -24.44 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.935 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -73.1 -26.67 61.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.766 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -97.33 -49.78 4.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.185 0.517 . . . . 0.0 110.972 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 33.0 t70 -85.36 -23.62 27.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.553 -173.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt 64.86 27.16 12.9 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.125 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.495 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 52.1 t-20 -86.38 94.26 9.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -69.63 -32.69 71.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.343 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -61.97 -48.86 78.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.933 0.397 . . . . 0.0 110.433 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -64.58 -40.33 95.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.366 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -57.89 -51.56 69.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.008 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -68.6 -25.01 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.474 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.9 m -66.52 -43.83 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.631 0.253 . . . . 0.0 110.496 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -71.02 -31.16 67.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.683 0.277 . . . . 0.0 110.968 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.97 -39.35 93.35 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.49 -30.38 70.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.235 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -96.26 -6.64 37.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.727 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -130.85 -58.55 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.834 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.508 HD21 ' HA ' ' A' ' 39' ' ' HIS . 6.5 t30 -87.16 88.54 7.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.081 0.467 . . . . 0.0 110.508 -178.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.36 -30.32 15.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.249 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.457 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 22.9 t -95.1 -94.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.508 ' HA ' HD21 ' A' ' 36' ' ' ASN . 51.1 p-80 -164.35 141.86 6.73 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.676 0.274 . . . . 0.0 111.387 -173.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.622 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 42.9 p90 -107.38 139.46 41.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 55.2 mt -101.46 110.94 29.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.111 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.688 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 20.0 t80 -101.75 122.21 43.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.846 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -95.58 112.2 23.97 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 108' ' ' TRP . 7.0 mp -63.94 149.54 47.01 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.711 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.752 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 72.26 -53.45 0.69 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.956 0.785 . . . . 0.0 111.791 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 m -66.21 -28.74 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.861 0.362 . . . . 0.0 110.795 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 6.2 mm-40 69.01 13.08 8.76 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.919 175.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -83.95 135.38 34.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.087 0.47 . . . . 0.0 110.342 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 6.2 t -120.31 122.21 67.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.025 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.457 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 4.8 m80 -109.91 92.78 4.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.879 0.371 . . . . 0.0 110.108 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.512 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 56.9 mt -91.25 102.31 13.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.519 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 38' ' ' SER . 21.3 t -87.28 103.7 13.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 174.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.7 mt -51.93 -55.78 18.17 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.464 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' HB3' ' OD1' ' A' ' 56' ' ' ASP . 24.8 ttpp -148.94 -64.21 0.23 Allowed 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -167.59 19.21 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.816 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' OD1' ' HB3' ' A' ' 54' ' ' LYS . 1.3 m-20 -98.05 -73.35 0.62 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.83 -171.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -129.01 154.48 46.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.042 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 30.6 m -116.37 119.64 36.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.324 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.512 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 4.3 t -82.04 114.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.659 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 5.3 tt -100.37 113.33 25.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 12' ' ' PHE . 17.3 mt -117.57 164.57 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.436 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 25.4 ttmm -131.69 114.22 14.51 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 169.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.92 -56.78 16.95 Favored Glycine 0 C--N 1.329 0.194 0 O-C-N 123.635 0.584 . . . . 0.0 113.392 -174.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 98.0 mt -136.8 -76.96 0.41 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.296 0.57 . . . . 0.0 110.302 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -161.88 -62.07 0.05 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.145 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 2.3 t30 -171.29 133.45 0.84 Allowed 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.752 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 14.5 tt -149.69 151.31 12.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -175.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.549 HG12 ' H ' ' A' ' 70' ' ' VAL . 46.7 t 73.01 154.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 O-C-N 123.301 0.376 . . . . 0.0 110.429 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 31.1 t -93.84 -32.62 13.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.641 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 87.9 t 69.88 134.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.671 0.607 . . . . 0.0 110.913 -175.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -135.63 134.34 39.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.076 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -82.63 32.35 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -174.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -84.35 63.81 7.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.486 0.66 . . . . 0.0 109.273 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 103' ' ' ALA . 74.6 mttt -58.86 112.35 1.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.453 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -147.35 126.63 13.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' HG3' ' HD1' ' A' ' 128' ' ' PHE . 62.7 ttt-85 -70.0 -35.61 74.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.461 -177.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.58 -39.72 80.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.177 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.7 -34.69 76.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.73 0.3 . . . . 0.0 110.584 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.48 -46.27 96.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.22 -49.89 76.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.387 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -57.66 -44.5 85.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.31 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -67.22 -41.25 86.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -61.44 -43.29 99.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.395 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -72.88 -29.1 62.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.827 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -57.78 -47.45 82.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.135 0.493 . . . . 0.0 109.751 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.77 -49.15 55.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.095 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -67.36 -17.82 64.89 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.3 t -100.44 -58.29 1.93 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.144 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.69 -23.86 27.24 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -173.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 54.97 74.57 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.203 0.525 . . . . 0.0 110.098 -171.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.5 pt -79.13 -113.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.627 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.732 ' HB ' ' OE1' ' A' ' 95' ' ' GLU . 29.7 m -151.63 155.28 38.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -58.01 -33.27 68.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.93 0.492 . . . . 0.0 111.827 -173.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.38 -57.4 6.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.732 ' OE1' ' HB ' ' A' ' 92' ' ' THR . 23.5 mp0 -60.77 -35.66 76.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.825 -177.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -60.19 -45.01 94.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.529 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 97' ' ' ARG . 58.1 mtm180 -78.7 -23.56 45.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.856 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.458 HH11 ' HD2' ' A' ' 98' ' ' ARG . 60.7 mtt180 -63.5 -46.54 85.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.824 0.345 . . . . 0.0 110.349 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.9 -33.33 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.777 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.41 -44.25 88.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.482 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.641 ' HB1' ' HA ' ' A' ' 70' ' ' VAL . . . -68.18 -23.71 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -71.32 -22.84 61.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.41 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.651 ' O ' ' HA ' ' A' ' 74' ' ' LYS . . . -94.58 8.2 43.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.995 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.97 5.22 83.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.988 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.418 HG11 ' HD1' ' A' ' 119' ' ' TYR . 57.5 t -75.2 103.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.176 0.512 . . . . 0.0 110.711 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -106.79 -30.26 9.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.133 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.999 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 0.9 OUTLIER -106.23 104.14 13.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.478 -177.605 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.688 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.6 t90 -97.25 109.41 22.17 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.14 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.2 105.75 18.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.887 0.375 . . . . 0.0 111.081 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.622 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 57.9 m -92.35 108.95 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 66.3 t30 -100.95 93.71 5.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.001 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 45.0 mm -66.18 -25.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.108 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -58.02 -23.12 52.95 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.209 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 86.6 mt-10 -130.64 6.34 4.75 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.544 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 56.1 38.12 29.55 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.131 0.491 . . . . 0.0 111.157 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 59.3 mttp -131.79 138.78 48.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.645 -176.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.45 ' HG2' HG23 ' A' ' 110' ' ' THR . 74.5 mtm180 -104.57 114.46 28.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 173.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -95.76 120.04 35.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.615 -176.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.418 ' HD1' HG11 ' A' ' 105' ' ' VAL . 95.3 m-85 -97.08 106.5 18.85 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.537 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.999 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 96.3 m-85 -106.47 151.26 25.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.882 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 t -85.97 176.07 8.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -63.84 -19.88 65.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.22 0.534 . . . . 0.0 110.318 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.74 0.94 28.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.907 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 69.7 15.56 8.05 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.204 0.601 . . . . 0.0 111.399 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.5 m -88.56 136.9 32.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.008 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.409 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . 51.7 tp -88.14 119.81 28.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.858 0.361 . . . . 0.0 110.76 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.58 -45.08 7.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.423 ' HD1' ' HG3' ' A' ' 76' ' ' ARG . 20.1 t80 -139.45 133.11 30.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.55 -172.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 55.6 m -108.0 107.14 17.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.521 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -102.67 140.39 37.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.203 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.7 t -105.91 124.19 49.17 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.6 pt -83.14 82.23 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.528 0.68 . . . . 0.0 111.497 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.367 178.185 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 CA--C 1.51 -0.593 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.473 ' O ' ' HD1' ' A' ' 12' ' ' PHE . 35.6 tt0 -61.11 -20.22 62.38 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 172.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 HD23 ' A' ' 61' ' ' LEU . 22.1 t -67.94 -36.89 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.825 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.4 -40.6 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.805 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.8 mp -64.95 -53.69 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.816 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.62 ' HB3' HD11 ' A' ' 61' ' ' LEU . 54.1 m-85 -59.78 -49.47 77.6 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -177.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 61.5 tttm -62.28 -38.93 91.23 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.612 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -55.67 -38.48 69.68 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.506 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 55.7 mt -60.35 -50.35 80.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.365 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.514 ' HA ' HG12 ' A' ' 19' ' ' VAL . 82.6 m-85 -68.56 -36.35 78.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.628 -177.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.419 ' OD2' ' HG2' ' A' ' 13' ' ' LYS . 50.8 m-20 -59.04 -41.18 87.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 0.0 111.074 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -76.93 -44.38 31.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.368 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 16' ' ' PHE . 8.6 p -66.81 -25.28 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.603 0.239 . . . . 0.0 111.086 -177.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -52.7 -47.46 67.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.27 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -104.57 -44.34 4.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.654 -172.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD2' ' HB3' ' A' ' 24' ' ' ASN . 32.1 t70 -82.44 -28.28 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.355 -171.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.7 mt 65.13 33.65 9.27 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.366 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.401 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . 13.3 p-10 -79.79 84.94 5.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.749 0.785 . . . . 0.0 110.781 178.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 2.5 m-30 -70.47 -30.55 67.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.953 -175.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.93 -35.24 80.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.506 ' CZ3' ' HA ' ' A' ' 15' ' ' ILE . 43.1 t90 -83.85 -37.99 21.76 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 174.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 25' ' ' TYR . 46.6 t80 -53.67 -56.69 15.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.259 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -71.91 -27.44 62.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.646 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.7 t -64.62 -51.32 63.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -68.42 -38.41 81.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.294 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.434 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 32.7 mt -58.19 -47.57 83.03 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.537 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.578 ' HA ' HG21 ' A' ' 112' ' ' ILE . 33.1 ttpt -70.16 -22.83 62.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 0.0 111.059 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -91.5 -5.82 53.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.129 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 78.9 m-70 -130.51 -57.29 1.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.636 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -86.63 90.24 8.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.816 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.526 HG11 ' HE2' ' A' ' 54' ' ' LYS . 15.7 t -87.62 -7.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.786 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.7 t -110.49 -86.13 0.54 Allowed 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.78 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -173.44 151.0 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -175.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.61 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 40.9 p90 -126.28 144.71 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 41' ' ' ILE . 4.3 mp -107.05 111.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.802 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.825 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.3 t80 -96.74 117.04 30.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.241 178.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -90.34 116.31 28.2 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.24 170.74 13.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.781 -0.19 . . . . 0.0 110.673 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 72.04 -51.12 0.7 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.431 0.693 . . . . 0.0 111.791 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 p -91.63 -25.53 19.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.832 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 66.18 29.26 9.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.679 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -85.35 131.77 34.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.626 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.6 t -119.19 131.2 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.416 -176.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -114.88 105.34 12.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.605 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.457 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.5 mp -102.31 112.08 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.9 t -92.41 120.56 41.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 mt -77.28 -174.48 3.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.609 0.718 . . . . 0.0 112.302 -175.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HE2' HG11 ' A' ' 37' ' ' VAL . 39.7 ttmt -67.99 -27.94 67.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.651 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -133.01 68.62 1.5 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.186 0.517 . . . . 0.0 110.671 -174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t70 78.97 -51.48 0.45 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.719 -1.128 . . . . 0.0 113.535 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -52.91 130.46 33.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.174 0.511 . . . . 0.0 112.059 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.0 m -114.52 126.49 55.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.683 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.6 139.92 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.892 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.459 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 8.5 mp -118.26 115.23 24.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.813 0.339 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' ' 12' ' ' PHE . 20.0 mt -103.31 167.02 10.09 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 174.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -152.12 124.68 8.34 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.581 176.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.52 -174.38 48.43 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 170.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -169.58 53.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.523 0.678 . . . . 0.0 111.882 -175.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -105.47 -23.79 12.74 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 170.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.4 t30 61.78 88.53 0.09 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.706 174.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.3 mt -110.54 87.3 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.059 0.456 . . . . 0.0 109.926 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.68 71.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.791 0.805 . . . . 0.0 109.64 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -126.6 18.92 7.39 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.001 177.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.581 HG22 ' HB1' ' A' ' 101' ' ' ALA . 39.4 t -75.33 115.21 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.648 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.446 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 31.2 mmmt -77.38 134.25 38.49 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 174.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -80.18 34.06 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.575 0.703 . . . . 0.0 110.763 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 71' ' ' LYS . 54.6 m -99.76 -164.37 1.12 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.116 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.612 ' HB2' HD21 ' A' ' 127' ' ' LEU . 21.4 pttm -158.2 101.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 111.211 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -137.07 148.25 46.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.877 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.565 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 11.7 ptm180 -100.32 -22.17 15.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.251 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -67.91 -41.48 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.68 0.276 . . . . 0.0 111.096 -172.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 28.4 tp -64.27 -27.62 69.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.024 0.44 . . . . 0.0 109.975 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 76' ' ' ARG . 51.0 mt -72.23 -50.09 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 174.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.579 ' HG2' ' CE1' ' A' ' 128' ' ' PHE . 38.1 mt-10 -58.14 -42.99 87.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.35 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.1 p -67.81 -37.45 82.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.053 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.462 HG21 ' HB2' ' A' ' 99' ' ' ASN . 67.1 m -73.1 -34.3 66.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.83 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 t -61.98 -47.35 85.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.33 0.586 . . . . 0.0 109.487 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.87 -34.98 78.52 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.149 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -67.73 -30.25 69.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.651 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 62.0 tp -74.17 -30.26 62.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.117 0.484 . . . . 0.0 110.259 177.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -76.62 -44.15 35.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.191 0.52 . . . . 0.0 110.331 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.5 t -76.42 -63.41 1.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.639 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -84.53 -30.37 25.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.194 -173.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 37.0 tt0 58.12 62.03 2.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.7 0.762 . . . . 0.0 110.621 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.3 pt -71.88 169.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.088 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.73 162.19 29.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -57.61 -41.91 82.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.275 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.52 ' HA ' ' HG2' ' A' ' 97' ' ' ARG . 4.8 pt20 -70.49 -24.91 62.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.651 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -34.99 34.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.228 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -62.89 -48.84 77.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.001 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' A' ' 94' ' ' GLN . 33.1 ptt180 -68.43 -24.51 64.74 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.775 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -59.77 -50.03 75.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.116 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.462 ' HB2' HG21 ' A' ' 82' ' ' THR . 44.5 m-80 -71.69 -31.72 67.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.414 -177.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.35 -39.03 88.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.75 0.31 . . . . 0.0 110.674 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.581 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -61.49 -36.02 79.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.403 0.621 . . . . 0.0 110.088 175.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -69.1 -21.87 64.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.732 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 78' ' ' LEU . . . -89.82 -8.46 52.02 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.98 0.419 . . . . 0.0 111.08 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 101.38 8.75 46.08 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.848 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.1 102.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.117 0.484 . . . . 0.0 110.361 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -105.64 -26.82 11.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.964 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.929 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 19.8 mmt180 -102.8 92.56 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.072 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.825 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.9 t90 -87.79 95.82 10.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.424 HG12 ' OD1' ' A' ' 111' ' ' ASN . 17.8 t -110.47 103.47 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.945 0.402 . . . . 0.0 110.665 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.61 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 28.0 m -96.6 112.65 24.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.874 0.369 . . . . 0.0 110.294 177.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.424 ' OD1' HG12 ' A' ' 109' ' ' VAL . 3.0 m-20 -97.89 108.27 20.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.068 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.578 HG21 ' HA ' ' A' ' 33' ' ' LYS . 49.5 mm -73.47 -31.12 31.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -64.6 -40.63 95.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.404 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -86.78 -10.82 52.68 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.161 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 62.89 32.6 15.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.827 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 61.7 mttp -143.23 150.36 39.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.171 0.51 . . . . 0.0 112.091 -173.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.537 ' HD3' ' OH ' ' A' ' 119' ' ' TYR . 95.3 mtt180 -95.83 114.22 25.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.705 173.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.41 119.88 39.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.991 0.424 . . . . 0.0 110.457 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.537 ' OH ' ' HD3' ' A' ' 117' ' ' ARG . 45.9 m-85 -107.22 109.33 21.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.945 0.402 . . . . 0.0 110.679 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.929 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 77.2 m-85 -105.18 144.48 31.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.709 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.666 ' HB ' HD11 ' A' ' 127' ' ' LEU . 5.6 t -77.71 174.01 11.43 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -61.84 -19.45 62.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.536 0.684 . . . . 0.0 109.831 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.551 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 31.7 t70 -78.81 2.17 20.81 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.403 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.551 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 1.7 t30 77.1 -9.86 1.45 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.24 0.543 . . . . 0.0 111.489 178.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.0 m -76.68 135.9 39.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.971 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.5 tp -75.75 127.39 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.424 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.666 HD11 ' HB ' ' A' ' 121' ' ' THR . 81.0 mt -101.24 -59.24 1.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 -177.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.579 ' CE1' ' HG2' ' A' ' 80' ' ' GLU . 57.0 t80 -138.53 157.32 46.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.392 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 31.9 m -144.16 108.5 4.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.686 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.413 ' HG3' ' HB2' ' A' ' 117' ' ' ARG . 8.4 pt-20 -105.76 128.58 53.79 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 18.9 p -86.39 141.36 29.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.897 0.38 . . . . 0.0 111.228 -175.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 40.2 pt -84.76 0.29 5.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.776 0.798 . . . . 0.0 109.21 174.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.977 173.555 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.462 ' OD1' HG23 ' A' ' 9' ' ' VAL . 9.9 t70 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.534 ' HA ' HD13 ' A' ' 11' ' ' ILE . 9.3 tt0 -68.99 -19.61 64.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.742 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG23 ' OD1' ' A' ' 7' ' ' ASP . 69.3 t -54.72 -39.74 48.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.72 174.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.9 t -59.74 -45.74 94.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.403 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.54 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -62.84 -53.38 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.733 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.576 ' HB3' HD11 ' A' ' 61' ' ' LEU . 23.0 m-85 -62.33 -48.67 78.82 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' HB2' HD22 ' A' ' 61' ' ' LEU . 24.0 ttpp -63.05 -32.52 73.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.363 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -69.5 -33.56 73.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 11' ' ' ILE . 82.7 mt -63.82 -54.06 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.199 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.508 ' HA ' HG12 ' A' ' 19' ' ' VAL . 75.6 m-85 -64.38 -32.74 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.235 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 9.1 t0 -60.6 -47.49 85.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.311 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -68.2 -53.29 25.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.267 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 16' ' ' PHE . 7.4 p -65.33 -19.13 25.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -175.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.599 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 14.4 ttp85 -55.27 -48.54 73.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.207 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -103.07 -37.9 7.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.389 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.41 -29.83 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.077 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 mt 61.04 32.27 19.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.932 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -77.74 70.43 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.68 0.753 . . . . 0.0 110.212 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 51.7 m-85 -59.82 -23.27 63.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.631 -178.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.434 ' CD ' ' H ' ' A' ' 26' ' ' GLN . 20.3 mp0 -60.98 -41.69 96.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.003 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.8 t90 -83.33 -31.45 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.134 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.4 t80 -60.5 -49.68 76.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.555 177.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -66.7 -33.9 76.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.063 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 p -72.6 -43.12 63.74 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.996 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -66.24 -33.05 74.87 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.648 0.261 . . . . 0.0 111.264 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 74.4 mt -60.55 -53.6 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.254 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HD3' HG23 ' A' ' 112' ' ' ILE . 34.4 mmtp -66.76 -14.99 63.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.612 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -97.33 -13.62 21.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -130.84 -61.29 0.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.386 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.43 ' O ' HG13 ' A' ' 112' ' ' ILE . 35.1 t30 -79.58 89.99 5.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.883 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.617 HG21 ' HD3' ' A' ' 54' ' ' LYS . 44.6 t -77.79 -31.45 17.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.477 -178.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.3 t -97.56 -79.26 0.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.691 -175.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -168.12 147.28 4.62 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.66 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.521 ' HB2' HG12 ' A' ' 51' ' ' ILE . 32.0 p90 -122.09 131.09 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 171.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.553 ' HB ' ' HB3' ' A' ' 50' ' ' HIS . 28.0 mt -106.77 108.62 25.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.227 -177.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.755 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -89.3 111.34 22.14 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -87.36 95.89 10.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' H ' HD12 ' A' ' 44' ' ' LEU . 6.9 mp -54.47 -49.52 69.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -170.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.469 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . . . -68.99 -9.53 52.84 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -115.82 -9.35 11.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.316 0.579 . . . . 0.0 109.804 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 51.91 31.31 8.28 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.307 -173.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.19 127.39 45.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.363 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.557 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 7.9 t -100.53 107.55 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.87 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 16.6 t-160 -91.37 85.49 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.294 -177.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.521 HG12 ' HB2' ' A' ' 40' ' ' TYR . 28.9 mt -93.54 111.85 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.304 -175.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.3 t -104.28 118.05 50.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.9 mt -78.48 -164.93 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.336 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.617 ' HD3' HG21 ' A' ' 37' ' ' VAL . 14.6 pttp -66.38 -70.35 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.411 ' H ' ' HG3' ' A' ' 54' ' ' LYS . 20.6 m120 -144.73 15.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.41 -72.24 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.667 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -167.22 -172.14 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.384 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 m -117.66 136.82 53.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.04 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -112.99 122.68 67.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.557 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 6.3 mp -115.52 99.14 7.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.654 0.264 . . . . 0.0 110.583 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 12' ' ' PHE . 23.8 mt -82.27 132.79 35.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.929 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -104.11 116.28 31.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.108 0.48 . . . . 0.0 110.275 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.04 -152.73 12.1 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.633 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.9 mt -71.12 -25.91 62.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.615 0.245 . . . . 0.0 110.96 -175.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 30.3 mtmm 65.48 23.96 11.88 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.411 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -98.48 -38.21 9.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.371 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.0 mp -78.17 82.65 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.206 1.003 . . . . 0.0 109.668 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.3 p -108.66 19.45 5.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 122.695 1.236 . . . . 0.0 108.429 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 p -84.93 26.03 0.88 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.859 -1.519 . . . . 0.0 111.989 -172.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.89 113.03 4.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -95.14 159.33 15.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.687 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.628 ' HA ' ' HE1' ' A' ' 122' ' ' PHE . 11.9 p90 -75.81 77.06 2.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.139 0.971 . . . . 0.0 110.253 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.6 m -134.5 170.81 15.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.171 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -157.54 86.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.285 0.564 . . . . 0.0 110.902 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -133.98 137.38 44.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.461 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.452 ' HB2' ' HB2' ' A' ' 128' ' ' PHE . 35.8 ptt180 -100.81 -16.83 17.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.33 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -74.39 -35.57 63.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.534 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.479 HD21 ' HD3' ' A' ' 102' ' ' LYS . 48.1 tp -60.26 -43.3 96.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.826 0.346 . . . . 0.0 110.125 174.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.35 -48.16 90.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.157 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.43 -45.87 76.76 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.8 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -65.96 -38.51 88.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.979 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.562 HG22 ' CD1' ' A' ' 96' ' ' TYR . 31.2 m -70.31 -37.51 74.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.748 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 t -58.86 -47.72 83.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.329 0.585 . . . . 0.0 109.472 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -62.68 -37.42 86.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.888 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.64 -46.45 88.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.623 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 96' ' ' TYR . 4.4 mm? -67.64 -41.45 83.82 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.419 0.628 . . . . 0.0 109.905 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -58.03 -48.47 79.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.015 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.4 t -93.44 -38.75 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -91.32 -28.18 17.91 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -170.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 59.03 49.93 8.87 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.385 0.428 . . . . 0.0 110.755 -176.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.508 HG13 HD13 ' A' ' 86' ' ' LEU . 2.9 pt -72.49 -95.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.411 ' H ' HG13 ' A' ' 91' ' ' ILE . 41.7 m -155.84 142.48 18.74 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.599 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 55.9 t80 -63.59 -35.03 79.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.838 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 1.5 pp0? -69.38 -27.92 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.786 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.483 ' HB3' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -68.15 -41.24 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.517 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.562 ' CD1' HG22 ' A' ' 82' ' ' THR . 77.7 t80 -56.24 -47.39 78.59 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.196 174.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -60.55 -39.67 88.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.227 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 22.0 mtp180 -65.78 -39.56 91.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 111.437 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -68.35 -31.94 71.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -68.02 -40.74 82.87 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.492 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 -35.79 81.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.204 0.526 . . . . 0.0 110.283 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.479 ' HD3' HD21 ' A' ' 78' ' ' LEU . 77.7 tttt -65.02 -32.02 73.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.606 176.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.437 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -79.91 -14.21 58.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.114 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.97 11.12 35.29 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 81.1 t -76.37 122.43 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.11 0.481 . . . . 0.0 110.662 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 45' ' ' ALA . 30.4 t80 -121.55 -25.67 5.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.16 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.791 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 5.5 mpt_? -104.09 90.29 3.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.183 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.755 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 3.0 t90 -88.72 82.56 6.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 174.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.545 HG22 HG23 ' A' ' 41' ' ' ILE . 19.5 t -96.33 96.81 5.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.432 -176.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.46 HG23 ' HG2' ' A' ' 117' ' ' ARG . 93.9 m -90.1 102.98 15.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.251 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 114' ' ' GLU . 9.8 m120 -88.98 113.66 24.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.324 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.57 HG23 ' HD3' ' A' ' 33' ' ' LYS . 31.7 mm -76.78 -46.74 29.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.793 -177.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -63.91 -33.21 75.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.086 0.47 . . . . 0.0 110.315 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.582 ' HB2' ' HB3' ' A' ' 111' ' ' ASN . 8.3 mp0 -86.08 -12.53 49.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.804 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 63.08 30.32 16.19 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.666 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 54.3 mttp -144.11 141.84 30.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.207 0.527 . . . . 0.0 111.945 -177.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.461 ' NH2' ' HG3' ' A' ' 130' ' ' GLU . 85.3 mtm180 -98.43 108.79 21.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.415 173.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -94.99 113.97 25.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -100.14 105.45 17.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.891 0.377 . . . . 0.0 110.556 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.791 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 75.4 m-85 -103.48 148.03 26.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.201 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.514 ' HB ' HD11 ' A' ' 127' ' ' LEU . 10.0 t -76.51 179.74 5.73 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.628 ' HE1' ' HA ' ' A' ' 72' ' ' PHE . 47.5 p90 -67.47 -16.42 64.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.143 0.497 . . . . 0.0 110.594 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.483 ' H ' HG23 ' A' ' 121' ' ' THR . 33.1 t70 -83.46 -1.02 52.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.391 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 69.49 16.48 8.17 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.576 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.4 m -84.19 132.82 34.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.3 tp -73.23 106.94 5.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.514 HD11 ' HB ' ' A' ' 121' ' ' THR . 77.0 mt -80.94 -52.45 7.43 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.152 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.452 ' HB2' ' HB2' ' A' ' 76' ' ' ARG . 71.2 t80 -154.1 153.82 32.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.822 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.0 t -133.44 122.08 23.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.241 0.543 . . . . 0.0 109.982 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.461 ' HG3' ' NH2' ' A' ' 117' ' ' ARG . 8.0 tp10 -109.6 116.83 32.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.407 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 20.2 m -69.69 147.3 50.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.11 0.481 . . . . 0.0 111.604 -174.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 112' ' ' ILE . 20.4 pt -98.82 122.42 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 170.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -168.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -55.13 -36.51 65.83 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.28 0.363 . . . . 0.0 110.912 -177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.447 HG13 HD23 ' A' ' 61' ' ' LEU . 72.9 t -62.95 -38.58 82.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.024 0.44 . . . . 0.0 110.86 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.1 -41.75 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.747 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.0 mp -64.87 -52.32 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.634 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.429 ' HB3' HD11 ' A' ' 61' ' ' LEU . 40.1 m-85 -64.01 -41.19 97.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.53 -30.65 67.46 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.152 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -65.45 -32.42 74.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.048 0.451 . . . . 0.0 109.797 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.496 ' HA ' ' HZ2' ' A' ' 27' ' ' TRP . 75.8 mt -60.77 -48.9 86.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.165 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.47 ' HA ' HG12 ' A' ' 19' ' ' VAL . 78.8 m-85 -69.86 -31.4 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.015 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 8.8 t0 -65.28 -46.37 80.7 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.916 ' HE2' ' HA ' ' A' ' 18' ' ' LYS . 7.3 mmpt? -60.77 -44.79 96.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.678 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.57 ' O ' HD23 ' A' ' 23' ' ' LEU . 11.4 p -69.82 -32.58 52.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.713 -175.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.435 ' HD2' ' C ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -80.6 -19.62 45.08 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.815 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -94.21 -51.0 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.275 0.559 . . . . 0.0 110.877 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.623 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . 2.6 m-20 -91.37 -30.63 16.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.378 -171.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 19' ' ' VAL . 52.9 mt 66.65 10.28 7.31 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.623 ' OD1' ' HB3' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -79.44 84.72 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.239 -0.585 . . . . 0.0 109.891 172.251 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.456 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 97.7 m-85 -60.56 -25.19 65.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.046 -175.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -56.31 -31.33 63.6 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 110.548 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.496 ' HZ2' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -76.56 -39.47 52.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.072 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.532 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 76.9 t80 -77.91 -37.64 47.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.103 -167.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 25' ' ' TYR . 62.4 m-85 -70.31 -22.92 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 0.0 110.071 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 m -72.88 -37.65 67.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.541 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' HG3' HG23 ' A' ' 15' ' ' ILE . 62.9 mm-40 -61.45 -45.94 92.17 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.571 173.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 90.8 mt -59.5 -48.95 79.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.769 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -71.83 -21.93 61.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.773 0.321 . . . . 0.0 111.371 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 -93.34 -27.79 16.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -116.19 -48.55 2.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.168 -0.332 . . . . 0.0 111.618 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -82.15 80.24 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.365 0.603 . . . . 0.0 109.881 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -71.79 -33.32 47.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.268 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 13.0 t -97.07 -85.08 0.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.722 -176.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -174.66 142.47 0.72 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.679 0.276 . . . . 0.0 110.614 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.441 ' HB2' HG13 ' A' ' 51' ' ' ILE . 38.2 p90 -113.28 143.71 43.96 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.143 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.419 HG21 HH21 ' A' ' 107' ' ' ARG . 4.4 mp -111.99 114.34 46.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.68 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.823 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.8 t80 -92.89 133.5 36.03 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -109.11 99.79 9.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.28 0.562 . . . . 0.0 109.715 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 66.0 mt -69.94 -8.38 48.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.212 -172.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' A' ' 70' ' ' VAL . . . -82.48 -6.72 59.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.761 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.552 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 2.7 p -142.39 -3.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.331 0.395 . . . . 0.0 111.534 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HA ' ' HE1' ' A' ' 42' ' ' TYR . 13.1 mm-40 66.41 16.84 10.54 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.221 -171.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.79 155.11 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.911 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.47 142.38 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.602 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -120.16 99.85 6.84 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.8 mp -93.31 110.46 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.279 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 38' ' ' SER . 19.4 t -90.35 112.08 24.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 78.9 mt -71.21 -177.46 1.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.499 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -41.31 -58.02 1.97 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.622 0.576 . . . . 0.0 111.976 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -168.79 35.74 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -104.64 -72.82 0.69 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.996 -171.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -143.69 156.79 44.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.434 -174.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.488 HG23 HG22 ' A' ' 52' ' ' VAL . 24.5 m -107.81 94.98 5.37 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 172.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.8 t -72.91 117.13 16.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.696 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.716 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.4 pt? -99.59 109.14 21.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.594 0.711 . . . . 0.0 110.729 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.447 HD23 HG13 ' A' ' 9' ' ' VAL . 54.1 mt -93.46 133.2 36.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.721 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -99.3 114.7 27.69 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.83 -75.85 0.83 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.731 -0.668 . . . . 0.0 113.167 -173.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.9 tm? -110.87 -75.69 0.62 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -178.74 -64.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.552 ' O ' ' HA ' ' A' ' 46' ' ' THR . 17.2 m120 -129.27 -79.48 0.56 Allowed 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.489 174.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 66' ' ' ASN . 8.9 tp 48.82 34.84 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 122.034 0.921 . . . . 0.0 111.709 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.51 102.48 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.808 0.813 . . . . 0.0 111.292 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.8 m -109.71 11.06 24.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.348 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.611 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 48.8 t -70.93 105.96 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.348 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -86.11 139.97 30.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.428 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.41 85.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.309 0.576 . . . . 0.0 110.048 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.462 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 73.9 m -153.66 168.62 25.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.801 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HE2' ' OD1' ' A' ' 123' ' ' ASP . 67.7 mttt -134.02 51.15 2.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -86.98 116.97 25.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.577 -171.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -88.36 -18.05 29.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.506 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -83.63 -33.83 25.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.847 0.356 . . . . 0.0 110.046 -176.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.2 tp -65.71 -35.55 81.07 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.07 -48.97 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.854 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.63 -48.61 74.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.697 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.4 m -60.65 -45.01 95.7 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.965 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.0 m -64.29 -43.84 93.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.876 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.6 t -59.44 -50.71 72.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.892 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -58.88 -44.92 91.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.858 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.778 ' HE2' HG21 ' A' ' 91' ' ' ILE . 87.4 tttt -60.56 -38.06 83.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.553 ' HA ' HG12 ' A' ' 91' ' ' ILE . 51.5 tp -72.4 -53.0 13.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 111.368 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -73.69 -23.56 59.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.891 -172.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.6 m -98.68 -47.87 5.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -99.7 4.45 45.53 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -173.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 74.11 -56.97 0.63 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.083 0.553 . . . . 0.0 112.337 173.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.778 HG21 ' HE2' ' A' ' 85' ' ' LYS . 35.3 pt 34.82 -124.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.266 1.026 . . . . 0.0 112.989 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -147.87 142.2 26.27 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.456 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 61.3 t80 -59.22 -29.12 67.28 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.304 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.55 -47.06 85.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.093 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -64.48 -37.65 88.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.063 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.49 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 71.3 t80 -54.29 -53.04 59.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.883 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.456 ' HD3' ' CE2' ' A' ' 93' ' ' PHE . 17.6 mtm180 -64.29 -37.82 88.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.0 0.428 . . . . 0.0 110.785 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -46.82 76.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.137 -175.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -69.53 -27.18 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.132 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 96' ' ' TYR . 79.2 mt -63.12 -45.25 92.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.288 175.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.611 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -61.81 -33.75 74.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.548 0.69 . . . . 0.0 110.189 176.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -69.18 -19.03 63.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.665 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.72 -16.92 27.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.79 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 117.77 2.72 16.66 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.655 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.25 116.52 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.235 0.541 . . . . 0.0 110.681 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.529 ' HB3' ' HA ' ' A' ' 122' ' ' PHE . 55.7 t80 -113.56 -26.83 8.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.437 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 1.008 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 53.1 mmm-85 -113.02 99.37 7.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.352 . . . . 0.0 110.962 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.823 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.2 t90 -91.94 101.6 14.17 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 174.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.5 t -110.85 108.09 24.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.44 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 58.8 m -104.08 105.78 16.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.68 176.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -102.59 115.58 30.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.1 mm -76.32 -23.82 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.435 -173.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -59.86 -30.8 69.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -112.73 -6.03 13.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.607 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 58.92 39.85 23.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.421 0.629 . . . . 0.0 110.341 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -119.61 143.28 47.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.012 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.406 ' HG2' ' OG1' ' A' ' 110' ' ' THR . 49.6 mtt180 -111.49 109.96 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.374 171.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -90.99 126.2 36.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.727 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -109.76 108.72 19.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.857 0.361 . . . . 0.0 110.352 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 1.008 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 63.3 m-85 -102.31 145.47 29.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.043 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.77 ' HB ' HD11 ' A' ' 127' ' ' LEU . 2.4 t -69.93 170.92 10.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.761 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.529 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 72.7 t80 -58.3 -37.12 74.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.42 -177.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.433 ' OD1' ' HE2' ' A' ' 74' ' ' LYS . 8.5 p-10 -83.72 5.8 23.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.201 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 69.95 92.24 0.09 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 111.809 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.6 t -167.55 143.91 4.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -74.61 118.95 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.958 -173.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.77 HD11 ' HB ' ' A' ' 121' ' ' THR . 83.3 mt -101.98 -56.08 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.456 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -135.26 154.25 51.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.06 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.2 m -138.25 103.24 4.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.007 0.432 . . . . 0.0 110.152 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -94.86 109.52 21.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.568 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.4 t -82.48 123.32 29.06 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.2 pt -74.77 75.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.942 0.877 . . . . 0.0 111.014 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-N 114.087 -1.415 . . . . 0.0 107.415 178.183 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -57.44 -31.87 66.34 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.499 HG13 ' HA ' ' A' ' 61' ' ' LEU . 58.3 t -59.62 -42.26 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.167 178.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.86 -46.17 97.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.257 -176.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 mp -61.19 -51.71 69.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.15 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.522 ' HB2' HD21 ' A' ' 61' ' ' LEU . 63.0 m-85 -67.1 -41.48 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.22 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 62.6 tttm -62.06 -38.17 87.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.3 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -60.02 -35.93 76.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.446 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.49 -45.64 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.977 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.541 ' HA ' HG12 ' A' ' 19' ' ' VAL . 84.6 m-85 -70.98 -37.59 72.72 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.146 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.555 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 10.2 m-20 -61.56 -39.15 90.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.02 0.438 . . . . 0.0 111.06 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -68.82 -52.38 30.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.067 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 16' ' ' PHE . 7.8 p -68.38 -22.83 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -171.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.619 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 34.9 ptt85 -71.66 -18.63 62.17 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.067 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -120.41 -44.54 2.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.05 0.452 . . . . 0.0 110.902 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.9 -34.51 71.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.709 -176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 92' ' ' THR . 91.9 mt 63.72 20.06 12.04 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.834 173.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -79.29 87.3 4.98 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.056 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 72.1 m-85 -72.21 -16.96 61.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.372 -177.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -59.58 -44.4 93.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.222 0.534 . . . . 0.0 109.878 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -79.95 -36.97 35.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.536 ' HB3' ' HA ' ' A' ' 25' ' ' TYR . 48.0 t80 -58.16 -57.11 14.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.367 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -71.17 -26.68 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.586 0.232 . . . . 0.0 111.215 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 38.5 t -63.31 -47.95 80.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 109.99 176.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -70.6 -36.07 73.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.937 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 73.9 mt -58.48 -44.72 89.45 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.326 176.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.486 ' HD2' ' O ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -72.45 -21.17 61.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -177.201 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 30' ' ' SER . 58.8 mtm180 -100.94 -4.47 27.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -131.02 -57.22 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.297 0.57 . . . . 0.0 110.803 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -83.21 80.22 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.936 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.455 ' HB ' ' HA ' ' A' ' 54' ' ' LYS . 45.1 t -74.96 -25.19 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 50.4 m -96.88 -82.21 0.41 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.389 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 111' ' ' ASN . 37.5 p-80 -179.8 155.21 0.62 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.655 -175.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.604 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 44.8 p90 -123.02 144.43 49.27 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.525 HG23 HG22 ' A' ' 109' ' ' VAL . 4.6 mp -112.0 116.57 52.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.367 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 1.015 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.2 t80 -100.14 114.04 27.12 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.821 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -94.08 107.93 19.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.803 0.335 . . . . 0.0 110.433 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.96 160.68 31.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.93 12.47 6.85 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.344 0.593 . . . . 0.0 110.817 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.7 m -145.45 -33.34 0.36 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.728 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.705 ' HG3' HD13 ' A' ' 67' ' ' ILE . 5.2 mm-40 71.89 19.64 4.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.41 174.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -90.97 113.36 25.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 11.3 t -110.9 113.77 45.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.96 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -104.15 102.71 12.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.745 0.307 . . . . 0.0 110.888 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.1 mp -92.05 116.16 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.183 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 38' ' ' SER . 39.8 t -94.32 111.97 26.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.4 mt -72.11 -164.57 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.375 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 0.4 OUTLIER -55.66 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.932 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -140.97 15.51 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.434 ' OD1' ' HB3' ' A' ' 54' ' ' LYS . 4.4 m-20 -85.04 -77.37 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.239 -1.346 . . . . 0.0 111.102 -169.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -159.56 173.7 15.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.67 0.272 . . . . 0.0 110.82 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.7 m -102.26 127.22 49.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.051 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.1 t -100.25 116.62 43.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.127 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.736 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.7 pt? -102.22 112.37 25.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.354 0.597 . . . . 0.0 110.718 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 12' ' ' PHE . 31.7 mt -98.36 149.83 22.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.068 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -124.68 122.21 36.86 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 170.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.1 -68.58 1.61 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.645 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.647 ' HB2' HD11 ' A' ' 67' ' ' ILE . 90.6 mt -137.76 -73.84 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -175.5 -63.37 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.235 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -103.82 -86.45 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.536 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.705 HD13 ' HG3' ' A' ' 47' ' ' GLU . 4.3 mp 47.63 65.38 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.829 0.823 . . . . 0.0 110.25 -173.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 68' ' ' VAL . 7.7 p -79.12 82.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 122.189 0.995 . . . . 0.0 110.678 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -105.0 -1.54 25.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.792 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.1 t -85.41 129.36 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.736 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -110.93 147.27 35.0 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.22 84.07 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.152 0.501 . . . . 0.0 110.765 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.57 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 8.2 m -134.93 163.06 30.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.582 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -136.79 55.37 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.365 0.602 . . . . 0.0 109.512 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.535 ' OD1' ' HB3' ' A' ' 77' ' ' HIS . 27.6 t70 -108.55 102.5 11.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.797 -171.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.537 ' HA ' HD12 ' A' ' 79' ' ' ILE . 18.0 ttt-85 -66.4 -32.53 73.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.4 175.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.535 ' HB3' ' OD1' ' A' ' 75' ' ' ASP . 0.8 OUTLIER -50.99 -53.68 31.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.703 178.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 103' ' ' ALA . 40.1 tp -64.36 -35.94 82.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.486 0.184 . . . . 0.0 110.91 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 76' ' ' ARG . 67.8 mt -57.8 -55.27 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.007 0.432 . . . . 0.0 110.469 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.38 -46.37 86.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.261 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.2 m -59.01 -37.81 77.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.879 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.557 HG21 ' HB2' ' A' ' 99' ' ' ASN . 91.1 m -72.15 -38.98 69.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.247 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.446 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 17.5 t -62.14 -40.3 95.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.068 0.461 . . . . 0.0 109.858 176.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -64.93 -32.56 74.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.006 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.765 ' HD2' HD13 ' A' ' 91' ' ' ILE . 33.1 ttmt -65.37 -46.03 81.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.006 0.431 . . . . 0.0 110.256 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -67.43 -39.22 85.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.059 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.4 -20.81 64.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.904 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t -92.52 -59.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.363 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -100.31 -81.17 0.47 Allowed 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.301 -0.559 . . . . 0.0 112.216 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 170.92 -45.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.389 0.431 . . . . 0.0 111.17 -175.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.765 HD13 ' HD2' ' A' ' 85' ' ' LYS . 25.0 pt 37.2 -122.95 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.801 0.84 . . . . 0.0 112.525 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.466 ' HA ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -155.89 155.38 32.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.619 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 68.2 t80 -62.2 -34.76 77.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.98 0.419 . . . . 0.0 110.21 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -68.48 -40.77 80.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -61.81 -49.06 77.82 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.446 ' HE1' ' HA ' ' A' ' 83' ' ' SER . 52.2 t80 -56.38 -46.53 80.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.9 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -66.23 -38.98 89.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.38 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.9 ttm-85 -61.2 -46.18 91.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.443 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.557 ' HB2' HG21 ' A' ' 82' ' ' THR . 42.7 m-80 -66.96 -36.78 82.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 111.001 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.35 -49.05 79.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.047 0.451 . . . . 0.0 110.242 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.61 83.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.916 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.9 -27.27 64.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.224 0.535 . . . . 0.0 110.757 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.439 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -80.33 -9.42 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.687 178.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.57 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 105.8 8.03 35.23 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.695 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.97 101.59 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 0.0 110.43 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -98.84 -26.23 14.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.843 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.902 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 6.5 ttm180 -121.26 97.42 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.659 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 1.015 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.1 t90 -91.49 102.35 15.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.246 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 41' ' ' ILE . 31.0 t -113.32 107.69 23.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.002 0.429 . . . . 0.0 110.856 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.604 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 48.4 m -105.51 112.48 25.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.026 0.441 . . . . 0.0 110.434 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 39' ' ' HIS . 3.6 m-20 -96.75 109.49 22.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.462 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.2 mm -74.35 -31.27 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.705 176.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -67.07 -24.67 65.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.691 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -106.49 -8.14 17.21 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.706 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 54.1 40.49 31.69 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.971 0.415 . . . . 0.0 111.189 -173.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -141.93 141.54 32.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.234 0.54 . . . . 0.0 111.843 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.492 ' HG2' HG23 ' A' ' 110' ' ' THR . 60.8 mtm180 -101.81 112.55 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.773 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -98.55 128.65 44.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.279 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -113.51 110.71 20.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.902 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 82.8 m-85 -109.26 145.45 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.217 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.528 ' HB ' HD11 ' A' ' 127' ' ' LEU . 9.9 t -83.81 -179.77 7.37 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 171.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -62.33 -28.23 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.064 0.459 . . . . 0.0 110.251 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 29.4 t70 -69.39 -9.12 52.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.471 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 10.3 t30 76.16 4.37 3.72 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.767 0.794 . . . . 0.0 110.186 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -70.98 122.56 20.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.878 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 49.2 tp -71.78 110.74 6.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.927 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.528 HD11 ' HB ' ' A' ' 121' ' ' THR . 98.0 mt -90.91 -38.77 12.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.178 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 18.9 t80 -141.62 145.11 34.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.842 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.0 m -138.63 103.05 4.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.823 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 128' ' ' PHE . 18.7 tt0 -112.4 125.68 54.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.692 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.8 t -86.41 126.23 34.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 175.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.3 pt -76.5 90.23 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.549 0.69 . . . . 0.0 110.802 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.977 -178.258 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 CA--C 1.518 -0.254 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.65 -31.07 71.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.204 0.526 . . . . 0.0 110.592 -177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.19 -36.09 70.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.204 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.71 -46.8 93.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.222 -177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.533 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -62.66 -50.98 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.678 -178.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.593 ' HB3' HD11 ' A' ' 61' ' ' LEU . 23.6 m-85 -64.5 -46.08 84.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.802 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.507 ' HD2' ' O ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -63.62 -36.09 82.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.317 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.43 -29.5 69.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.351 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 11' ' ' ILE . 71.4 mt -61.85 -49.16 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.119 0.485 . . . . 0.0 109.704 176.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.482 ' HA ' HG12 ' A' ' 19' ' ' VAL . 95.9 m-85 -70.49 -33.55 71.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.529 177.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 7.2 t70 -64.87 -34.85 79.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.639 -178.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -49.99 17.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.573 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.1 p -66.5 -27.68 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.876 -174.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.501 ' HE ' ' HA ' ' A' ' 17' ' ' ASP . 46.3 ptt85 -72.29 -7.52 49.9 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.215 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -118.22 -54.12 2.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.19 -22.15 52.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.186 -173.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.2 mt 64.25 23.75 13.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 110.689 -175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -81.68 91.93 6.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.229 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.513 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 61.4 m-85 -80.64 -21.8 41.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -59.89 -52.55 64.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.063 0.459 . . . . 0.0 110.247 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -73.82 -33.39 64.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.293 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.522 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 36.9 t80 -58.96 -57.24 13.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -69.37 -26.9 64.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.32 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.599 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 24.4 t -58.5 -53.58 56.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.079 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' OE2' ' HD3' ' A' ' 34' ' ' ARG . 40.7 mm-40 -70.98 -33.33 70.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.426 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 46.3 mt -57.38 -51.3 69.97 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.558 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -70.29 -12.68 61.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.883 0.373 . . . . 0.0 111.232 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' A' ' 30' ' ' SER . 71.7 mtp180 -88.82 -23.28 22.86 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 122.126 -0.359 . . . . 0.0 111.469 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -124.34 -53.1 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.083 0.468 . . . . 0.0 110.608 -174.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -82.32 90.15 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.911 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.615 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 17.7 t -84.32 -8.4 11.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.552 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -118.59 -94.65 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.551 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -158.51 146.11 18.01 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 122.165 -0.334 . . . . 0.0 111.145 -172.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -120.14 141.92 49.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.893 0.377 . . . . 0.0 110.502 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.2 mt -106.43 106.9 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.85 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.995 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.4 t80 -93.42 107.92 19.68 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.941 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.548 ' HB2' ' HB3' ' A' ' 48' ' ' ASN . 96.3 m-85 -88.73 104.15 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 97' ' ' ARG . 5.9 mp -64.38 -27.07 68.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.47 -171.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.533 ' HB1' HG22 ' A' ' 68' ' ' VAL . . . -76.32 -10.21 59.23 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 m -138.33 -2.38 1.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.592 ' HG2' HD13 ' A' ' 67' ' ' ILE . 10.1 mm-40 55.46 34.78 23.72 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.865 0.841 . . . . 0.0 109.355 -169.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.548 ' HB3' ' HB2' ' A' ' 43' ' ' TYR . 2.8 t-20 -94.03 98.18 10.83 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.804 -176.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 t -98.17 123.89 50.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.594 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -106.88 96.48 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.31 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.561 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.4 mp -87.57 98.49 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.51 115.36 18.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.2 mt -72.46 179.66 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.42 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 83.4 tttt -68.11 -22.16 64.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.717 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -129.34 63.22 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.003 0.43 . . . . 0.0 111.297 -175.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t70 77.58 -50.04 0.52 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 165.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -58.55 140.7 53.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.057 0.456 . . . . 0.0 110.984 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.6 m -122.03 124.39 43.87 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.104 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.561 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 20.0 t -78.13 117.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 tt -102.2 107.38 18.43 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.593 HD11 ' HB3' ' A' ' 12' ' ' PHE . 51.6 mt -100.52 143.8 30.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.388 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -129.12 112.69 14.24 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.49 -66.27 2.63 Favored Glycine 0 CA--C 1.506 -0.496 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.887 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.573 ' HB2' HD11 ' A' ' 67' ' ' ILE . 91.8 mt -127.47 -98.21 0.39 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -157.04 -72.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.29 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -118.44 111.31 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.373 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.592 HD13 ' HG2' ' A' ' 47' ' ' GLU . 3.7 mp -131.35 43.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.533 HG22 ' HB1' ' A' ' 45' ' ' ALA . 46.8 t -75.05 86.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.425 -176.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.7 p -105.97 -3.85 21.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.106 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.75 133.83 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.266 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 21.7 mtpp -115.4 155.24 27.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.995 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -82.88 74.68 9.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.295 0.569 . . . . 0.0 109.88 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.43 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 50.5 m -133.39 166.16 23.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.549 -177.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -134.44 95.84 3.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.145 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -139.45 137.44 35.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.838 0.352 . . . . 0.0 110.148 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 76' ' ' ARG . 57.9 mtt85 -100.48 -25.54 14.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.587 -175.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 87.6 m-70 -84.51 -25.09 29.05 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.617 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.69 -35.66 81.76 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.46 -49.24 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.685 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.43 ' HB3' ' HA ' ' A' ' 77' ' ' HIS . 40.0 tt0 -56.02 -50.83 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.763 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 p -63.64 -40.78 97.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.667 0.27 . . . . 0.0 111.707 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.0 m -68.62 -36.18 78.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.79 0.328 . . . . 0.0 110.546 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t -67.74 -38.45 83.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -64.57 -37.22 86.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.105 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -66.92 -33.49 75.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.34 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.12 -40.32 94.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.046 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -74.35 -39.52 62.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.273 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.8 m -74.44 -50.9 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.39 -177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.636 ' HD2' ' HG2' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -100.49 -78.45 0.52 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.515 -0.474 . . . . 0.0 109.832 -178.804 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.636 ' HG2' ' HD2' ' A' ' 89' ' ' ARG . 12.7 pt-20 152.6 -31.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.631 1.173 . . . . 0.0 108.582 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.3 pt 37.83 -130.43 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.312 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.1 m -149.86 153.6 37.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.544 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 56.1 t80 -56.83 -33.05 66.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.025 0.441 . . . . 0.0 110.533 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.483 ' NE2' ' HB2' ' A' ' 20' ' ' ARG . 79.0 mm-40 -66.37 -49.31 67.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.983 177.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -58.32 -42.72 87.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.011 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.556 ' O ' HD13 ' A' ' 100' ' ' LEU . 53.1 t80 -58.93 -47.26 85.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.718 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.558 ' HB3' HD23 ' A' ' 44' ' ' LEU . 35.0 mtm180 -69.5 -35.79 75.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.771 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -56.46 -43.94 80.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.567 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -80.54 -29.99 37.12 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.246 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 96' ' ' TYR . 8.0 mp -65.67 -44.22 86.94 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.563 176.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.39 -35.69 81.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.228 0.537 . . . . 0.0 110.321 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -68.1 -26.3 65.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.494 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.66 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.073 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 115.01 5.99 19.3 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.505 -0.855 . . . . 0.0 113.302 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.4 t -77.14 112.08 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.076 0.465 . . . . 0.0 110.363 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -108.73 -30.1 8.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.167 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.781 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 83.3 mtt180 -117.28 102.99 9.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.995 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.8 t90 -87.83 93.02 9.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.166 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.8 t -102.01 102.48 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.2 m -103.33 117.41 34.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.0 0.429 . . . . 0.0 110.312 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.408 ' OD1' ' HB3' ' A' ' 113' ' ' HIS . 40.3 t-20 -106.12 105.94 16.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.424 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 112' ' ' ILE . 4.7 tp -72.08 -27.68 27.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.17 0.509 . . . . 0.0 109.694 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.408 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 54.7 t-80 -67.09 -20.53 65.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.103 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 12.2 tp10 -113.16 -9.89 13.45 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.775 -172.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 58.34 27.66 15.65 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.603 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 59.1 mttp -133.9 142.74 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 0.0 111.575 -174.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -103.26 121.04 41.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.48 172.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -104.23 108.93 20.55 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.827 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -89.85 104.71 17.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.237 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.781 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 78.3 m-85 -100.37 143.89 30.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.844 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.437 HG23 ' H ' ' A' ' 123' ' ' ASP . 14.3 t -80.29 -179.56 7.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 174.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -56.84 -35.62 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.021 0.439 . . . . 0.0 110.96 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.437 ' H ' HG23 ' A' ' 121' ' ' THR . 29.9 t70 -81.97 13.58 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.143 -177.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.2 t30 62.51 24.85 14.8 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.782 0.801 . . . . 0.0 110.652 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.8 m -94.51 131.83 39.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.685 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.5 tp -71.41 120.0 16.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.564 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.5 mt -96.67 -49.64 5.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -139.26 144.38 38.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.813 0.34 . . . . 0.0 110.51 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.1 m -126.31 123.32 37.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.065 177.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -130.14 145.61 51.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.825 0.345 . . . . 0.0 110.354 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.5 p -100.24 126.6 46.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.014 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 22.6 pt -85.39 -1.52 6.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.501 0.667 . . . . 0.0 110.157 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 169.605 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.445 ' OD1' ' HB ' ' A' ' 9' ' ' VAL . 9.6 t70 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -68.88 -21.9 64.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.436 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.445 ' HB ' ' OD1' ' A' ' 7' ' ' ASP . 58.3 t -64.57 -36.95 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.234 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 68.9 t -60.71 -43.0 94.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.949 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.93 -53.43 46.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.206 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.644 ' HB2' HD21 ' A' ' 61' ' ' LEU . 60.3 m-85 -68.68 -41.87 78.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.557 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -63.53 -33.43 75.57 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 3.9 tp-100 -59.88 -44.67 94.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.159 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.24 -52.25 58.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.932 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -66.15 -37.02 84.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 0.0 111.463 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.57 -39.64 67.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.678 0.275 . . . . 0.0 110.892 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -70.77 -38.33 73.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.3 -23.39 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.115 0.484 . . . . 0.0 110.033 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 20' ' ' ARG . 2.3 tmm_? -70.29 -19.21 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.124 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -96.47 -56.22 2.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.335 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.63 -35.67 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.066 -176.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.3 mt 61.51 27.47 16.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.703 0.763 . . . . 0.0 109.528 -170.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -84.27 83.72 7.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.738 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -68.77 -27.81 66.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.73 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -64.01 -51.82 62.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.422 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -67.65 -39.07 84.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.571 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.443 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 35.3 t80 -50.73 -56.53 11.57 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.469 0.481 . . . . 0.0 111.41 -177.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -73.64 -17.0 61.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.4 m -76.34 -47.81 22.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.919 0.39 . . . . 0.0 110.002 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.73 -40.49 88.37 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.817 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 46.3 mt -56.11 -51.92 66.18 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.32 174.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HG2' ' CG2' ' A' ' 112' ' ' ILE . 9.7 mtmp? -72.78 0.85 9.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -95.9 -21.75 17.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.985 0.421 . . . . 0.0 110.117 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -120.43 -59.36 1.77 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.369 0.604 . . . . 0.0 110.191 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -90.76 91.88 8.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.465 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -89.35 5.43 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.607 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.441 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 28.9 t -112.6 -91.93 0.48 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.921 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.441 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 52.0 p-80 -168.11 158.51 10.34 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.767 0.318 . . . . 0.0 111.323 -175.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.485 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 47.6 p90 -139.86 149.29 43.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.341 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.451 HG23 HG22 ' A' ' 109' ' ' VAL . 4.5 mp -116.43 114.09 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.776 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.4 OUTLIER -97.59 114.57 26.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.023 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -88.3 107.39 18.79 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.449 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 108' ' ' TRP . 6.8 mp -66.66 145.83 55.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.13 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 68' ' ' VAL . . . 77.63 -39.88 0.31 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.387 0.675 . . . . 0.0 110.793 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.412 HG22 HD22 ' A' ' 48' ' ' ASN . 6.2 m -77.58 -30.05 52.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 59.61 23.64 12.39 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.548 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.471 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.7 m-80 -103.36 110.2 22.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.941 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.5 t -100.47 128.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.695 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -110.04 107.11 16.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.839 0.352 . . . . 0.0 110.29 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.458 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.5 mp -104.29 112.51 38.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.109 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.548 HG22 HG23 ' A' ' 58' ' ' THR . 13.9 t -98.18 115.28 37.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD12 ' HB3' ' A' ' 57' ' ' ASN . 77.5 mt -74.15 167.06 22.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.45 . . . . 0.0 110.549 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -67.83 -18.15 64.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.349 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -120.89 59.26 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.785 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.6 t70 79.44 -53.19 0.42 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.902 -1.045 . . . . 0.0 113.178 167.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.543 ' HB3' HD12 ' A' ' 53' ' ' LEU . 3.2 t-20 -54.44 131.32 42.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.327 0.584 . . . . 0.0 112.345 -173.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.548 HG23 HG22 ' A' ' 52' ' ' VAL . 28.4 m -122.34 114.61 21.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.812 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 t -100.09 141.72 16.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.237 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.0 pt? -123.84 117.96 26.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.193 0.52 . . . . 0.0 110.594 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 12' ' ' PHE . 31.1 mt -93.16 101.69 13.99 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.409 ' HG2' ' OD1' ' A' ' 48' ' ' ASN . 25.3 mtpp -89.41 100.68 13.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -117.18 -176.49 17.58 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.91 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 66' ' ' ASN . 98.3 mt -145.35 -61.86 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.1 mttp 67.29 -24.45 0.11 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.976 0.91 . . . . 0.0 112.814 176.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.465 ' H ' ' C ' ' A' ' 64' ' ' LEU . 44.0 t30 64.55 85.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.226 0.61 . . . . 0.0 109.894 -171.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.42 HD13 HE22 ' A' ' 94' ' ' GLN . 50.5 mt -134.37 -76.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.062 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.463 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . 39.9 t 49.47 84.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.748 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.46 ' OG ' ' HG3' ' A' ' 98' ' ' ARG . 5.0 m -105.92 -18.1 14.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.682 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 61.2 t -58.94 128.95 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.641 -173.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -119.69 155.45 32.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.196 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -79.34 79.53 5.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.356 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 m -149.78 175.04 11.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.458 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 52.1 pttt -151.29 96.03 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.364 0.602 . . . . 0.0 111.112 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -131.25 131.5 43.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.029 0.443 . . . . 0.0 111.158 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 127' ' ' LEU . 68.1 mtm180 -96.08 -13.96 23.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.135 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -70.34 -50.53 38.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.144 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' A' ' 103' ' ' ALA . 58.7 tp -58.56 -33.65 70.17 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.736 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 76' ' ' ARG . 74.1 mt -61.1 -48.26 89.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.252 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.82 -45.52 85.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.397 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 m -55.52 -47.57 76.03 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.025 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 99' ' ' ASN . 21.6 m -69.31 -33.07 72.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.253 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.2 m -69.43 -36.81 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.97 0.415 . . . . 0.0 110.588 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.42 -33.0 70.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.876 0.846 . . . . 0.0 108.736 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -66.53 -40.51 89.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.26 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 25.2 tp -69.86 -23.29 63.25 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.752 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -83.79 -45.58 13.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.099 0.476 . . . . 0.0 110.327 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.3 t -77.73 -55.95 4.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.333 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' H ' ' A' ' 91' ' ' ILE . 77.7 mtp180 -92.48 -30.27 15.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.628 0.251 . . . . 0.0 110.792 -176.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.621 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 44.9 mt-10 73.63 -28.9 0.19 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.599 0.759 . . . . 0.0 112.093 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.408 ' H ' ' C ' ' A' ' 89' ' ' ARG . 8.4 pt 34.21 -109.27 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 174.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 94' ' ' GLN . 17.2 m -151.88 140.58 20.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -59.4 -30.59 68.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 0.0 111.346 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.425 ' H ' HG22 ' A' ' 92' ' ' THR . 44.9 tp60 -58.8 -52.72 64.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.728 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.19 -34.14 75.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.053 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.468 ' HD1' HG22 ' A' ' 82' ' ' THR . 67.8 t80 -56.3 -52.6 63.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.112 0.482 . . . . 0.0 110.306 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 97' ' ' ARG . 22.5 ttp85 -67.75 -32.09 72.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.727 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.46 ' HG3' ' OG ' ' A' ' 69' ' ' SER . 26.7 ttp180 -66.74 -42.05 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.776 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.532 ' HB2' HG21 ' A' ' 82' ' ' THR . 6.8 m-20 -64.96 -41.59 95.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.11 -40.74 98.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -60.1 -38.11 81.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.037 0.446 . . . . 0.0 110.665 177.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -70.63 -28.93 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.673 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.55 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -77.18 -12.95 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.326 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.8 -0.88 12.1 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.068 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 82.7 t -75.47 105.06 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.161 0.505 . . . . 0.0 110.288 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -105.5 -30.61 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.724 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 41.4 mtp180 -120.27 104.09 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.273 0.559 . . . . 0.0 110.793 -175.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.776 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 4.6 t-105 -87.43 96.14 10.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.543 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.451 HG22 HG23 ' A' ' 41' ' ' ILE . 48.7 t -106.31 103.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.0 0.429 . . . . 0.0 110.85 -178.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.485 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 70.1 m -101.64 111.81 24.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 58.3 t30 -95.22 102.09 13.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.319 0.581 . . . . 0.0 109.449 178.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.484 ' CG2' ' HG2' ' A' ' 33' ' ' LYS . 43.2 mm -61.31 -40.67 86.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.28 -173.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -66.04 -24.41 66.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.403 ' HG3' ' ND2' ' A' ' 111' ' ' ASN . 49.8 mt-10 -103.07 -2.72 27.01 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.524 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 55.66 39.82 30.9 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.536 0.523 . . . . 0.0 110.948 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -136.35 137.84 41.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.92 0.391 . . . . 0.0 111.682 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -100.65 121.37 41.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.248 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -106.44 113.02 26.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.775 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -96.89 108.06 20.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.717 0.294 . . . . 0.0 110.579 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.629 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 93.9 m-85 -100.54 142.93 31.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.498 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.689 ' HB ' HD11 ' A' ' 127' ' ' LEU . 10.1 t -84.71 -179.11 7.05 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.763 175.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -60.11 -31.24 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.02 8.55 37.14 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.074 -176.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 65.1 t30 80.49 12.39 0.93 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.553 0.741 . . . . 0.0 111.793 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.0 m -75.41 132.12 40.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.779 -0.575 . . . . 0.0 109.857 173.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.4 tp -75.6 115.64 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.689 HD11 ' HB ' ' A' ' 121' ' ' THR . 93.7 mt -91.5 -77.15 0.43 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.023 0.44 . . . . 0.0 110.643 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -111.01 142.77 42.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -174.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.7 m -144.61 126.67 15.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.043 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.81 174.57 10.47 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.391 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 m -118.07 116.95 27.91 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.44 0.462 . . . . 0.0 110.261 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.9 pt -67.4 115.62 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.34 0.591 . . . . 0.0 110.212 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.813 -173.493 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.513 ' HA ' HD13 ' A' ' 11' ' ' ILE . 5.5 tp-100 -55.65 -24.37 33.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.298 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.6 t -57.14 -39.29 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.83 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.38 -40.02 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.752 0.31 . . . . 0.0 110.801 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 8' ' ' GLN . 3.1 mp -62.62 -57.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.67 -178.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.633 ' HB3' HD11 ' A' ' 61' ' ' LEU . 57.7 m-85 -66.93 -41.35 87.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.614 -176.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.89 -38.77 86.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.629 0.252 . . . . 0.0 110.526 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -59.29 -41.15 88.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.071 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.797 HG22 ' HD1' ' A' ' 28' ' ' PHE . 35.1 mt -64.07 -48.73 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.645 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 35.0 m-85 -65.52 -47.64 75.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.956 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.702 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -65.82 -30.46 71.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.602 0.239 . . . . 0.0 111.191 -179.064 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.51 -55.44 20.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.2 p -65.33 -27.23 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.685 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.702 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 20.9 mtp180 -54.47 -44.4 72.55 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -104.01 -35.25 8.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.771 0.32 . . . . 0.0 111.437 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 12.5 t70 -79.29 -30.69 43.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.145 -172.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 93' ' ' PHE . 80.5 mt 68.25 36.76 3.02 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.703 0.763 . . . . 0.0 109.383 -169.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.14 57.68 2.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.532 -177.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -63.47 -35.31 80.02 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -174.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -60.43 -52.03 66.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.275 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.423 ' CH2' HG12 ' A' ' 15' ' ' ILE . 24.7 t90 -72.09 -38.23 69.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.359 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.797 ' HD1' HG22 ' A' ' 15' ' ' ILE . 54.6 t80 -58.59 -52.54 65.22 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.92 -23.97 66.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.666 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 m -79.43 -48.2 14.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.076 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -67.64 -33.73 75.55 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.344 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.454 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 52.7 mt -62.51 -47.71 82.75 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -69.35 -12.89 62.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.204 0.526 . . . . 0.0 110.762 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -46.81 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.213 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -105.91 -44.16 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.476 -171.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -81.21 79.96 7.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.384 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -75.13 -17.75 16.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.284 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 m -108.47 -85.93 0.52 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -170.87 151.31 3.35 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 122.298 -0.251 . . . . 0.0 110.924 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 37.1 p90 -125.2 146.84 49.33 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.739 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.6 mp -110.51 116.61 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.208 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.897 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 19.2 t80 -103.39 112.4 25.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.87 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD1' ' HD2' ' A' ' 107' ' ' ARG . 97.4 m-85 -84.17 115.36 22.38 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.17 156.07 39.32 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.298 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.61 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 73.33 -53.18 0.7 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.559 0.744 . . . . 0.0 111.297 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 m -76.89 -21.71 54.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.442 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 56.12 30.16 15.9 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.969 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -93.43 117.78 30.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.969 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.667 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 4.1 t -110.94 124.41 67.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.615 0.245 . . . . 0.0 110.767 -175.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -112.59 97.67 6.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.844 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.575 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.3 mp -85.69 101.7 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.4 t -86.01 112.71 22.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.785 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -72.62 -172.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.037 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -76.7 65.22 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.084 0.469 . . . . 0.0 110.834 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.1 t30 82.24 9.26 0.8 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.702 165.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -92.63 -71.58 0.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.648 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -146.53 174.9 10.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.823 0.344 . . . . 0.0 110.206 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.1 m -114.76 129.35 56.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.298 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.575 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 54.5 t -87.52 121.82 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 176.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tt -104.35 115.27 30.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.032 -174.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.667 ' HB2' ' HB ' ' A' ' 49' ' ' VAL . 46.7 mt -105.36 164.84 11.55 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.11 0.481 . . . . 0.0 110.685 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -143.69 123.2 13.19 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.765 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.32 -104.93 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.199 171.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.1 tp -119.28 -11.11 9.6 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 172.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 18.9 ptmt 49.91 29.9 3.64 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.65 1.18 . . . . 0.0 111.781 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.73 -14.2 4.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.572 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 56.3 mt -80.76 78.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.665 0.745 . . . . 0.0 110.468 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.32 87.16 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.12 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.0 m -110.1 7.66 23.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.575 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.512 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 95.4 t -73.28 127.52 35.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.336 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -113.92 145.81 40.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.256 -174.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -69.63 89.36 0.53 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.261 0.553 . . . . 0.0 110.295 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.545 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 28.1 t -153.89 162.29 41.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.517 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -135.09 66.02 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -103.68 102.74 12.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.405 0.621 . . . . 0.0 111.031 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 76' ' ' ARG . 44.0 ttt180 -73.9 -23.57 59.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.082 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -75.45 -40.83 57.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.845 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.25 -37.38 85.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.413 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.45 -48.3 85.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -56.32 -47.38 78.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.889 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.2 m -63.37 -37.41 87.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.421 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.8 m -63.54 -44.28 94.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.699 0.285 . . . . 0.0 110.41 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -59.98 -36.76 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.356 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -68.82 -31.05 69.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.362 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -68.93 -41.05 78.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.902 0.382 . . . . 0.0 110.451 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 tp -72.95 -30.79 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 109.885 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -71.95 -42.78 66.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.168 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.5 m -84.63 -51.47 6.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.094 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.61 ' O ' ' HB3' ' A' ' 90' ' ' GLU . 16.0 tpp180 -100.32 -79.11 0.5 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.929 -172.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.61 ' HB3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER 161.86 -38.05 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.589 0.756 . . . . 0.0 110.061 174.575 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.8 pt 40.01 -131.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.805 0.842 . . . . 0.0 112.032 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.455 ' HB ' ' OE1' ' A' ' 95' ' ' GLU . 39.9 m -149.49 148.19 29.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.47 ' HB2' HD23 ' A' ' 23' ' ' LEU . 17.0 t80 -63.35 -30.8 71.87 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 -174.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 98' ' ' ARG . 27.7 tt0 -57.68 -51.9 67.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.07 173.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.455 ' OE1' ' HB ' ' A' ' 92' ' ' THR . 4.2 mp0 -67.35 -28.78 68.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.491 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -59.62 -52.31 66.08 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.536 ' HA ' HD12 ' A' ' 100' ' ' LEU . 85.3 mtt180 -72.38 -28.33 62.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.074 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 94' ' ' GLN . 36.8 ttt180 -61.39 -48.62 80.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.321 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -72.37 -29.34 63.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.969 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 97' ' ' ARG . 57.8 mt -63.05 -41.24 99.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.524 174.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB1' ' HA ' ' A' ' 70' ' ' VAL . . . -62.64 -35.78 80.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.313 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -69.99 -26.65 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.822 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.21 -20.96 47.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.545 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 111.67 10.25 19.52 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.609 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.4 t -76.57 115.41 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.124 0.487 . . . . 0.0 109.909 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -107.55 -26.48 10.88 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.297 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.452 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -118.82 112.78 20.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.09 0.471 . . . . 0.0 111.439 -178.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.897 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 10.2 t-105 -94.77 98.24 10.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.737 173.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.3 t -111.5 104.14 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.064 0.459 . . . . 0.0 110.721 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.612 HG23 ' HG2' ' A' ' 117' ' ' ARG . 55.9 m -99.07 104.1 16.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.156 0.503 . . . . 0.0 110.676 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -90.39 94.04 9.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.3 tp -77.07 -17.05 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.883 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.73 -28.59 69.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.581 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -107.19 -5.93 17.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.602 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 59.52 47.97 10.26 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.504 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -139.45 133.4 30.92 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.783 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.612 ' HG2' HG23 ' A' ' 110' ' ' THR . 42.0 mtm180 -100.74 117.87 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.267 176.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -100.57 135.6 41.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -177.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.433 ' HE1' ' CZ3' ' A' ' 108' ' ' TRP . 90.4 m-85 -117.0 116.68 27.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.602 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -116.36 137.55 52.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.355 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.891 ' HB ' HD11 ' A' ' 127' ' ' LEU . 12.6 t -80.47 -178.62 6.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 171.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -59.95 -29.38 68.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.991 0.36 . . . . 0.0 111.4 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.435 ' H ' HG23 ' A' ' 121' ' ' THR . 2.7 m-20 -63.78 -16.63 61.68 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 176.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.9 t30 71.53 17.82 5.57 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.906 0.86 . . . . 0.0 109.654 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.3 t -82.93 137.89 34.04 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.406 174.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.53 112.88 4.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.384 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.891 HD11 ' HB ' ' A' ' 121' ' ' THR . 96.4 mt -90.58 -54.5 3.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.006 177.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -141.75 159.64 41.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.561 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.9 m -146.26 112.81 5.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.359 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 117' ' ' ARG . 53.3 mt-10 -92.41 108.3 19.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 177.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.7 m -84.38 111.16 19.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.794 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.8 pt -92.89 120.39 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.469 0.652 . . . . 0.0 111.402 -174.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.401 177.361 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 120.582 0.23 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -64.69 -31.1 72.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.637 -175.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.55 -34.88 59.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.838 0.351 . . . . 0.0 110.401 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 61.5 t -61.99 -41.78 92.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.019 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.4 mp -64.07 -53.74 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.632 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' HB3' HD11 ' A' ' 61' ' ' LEU . 70.7 m-85 -65.45 -43.34 90.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.551 -176.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HA ' HD13 ' A' ' 61' ' ' LEU . 57.8 tttp -60.68 -42.21 96.67 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.49 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 4.0 tp-100 -59.13 -40.09 84.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -176.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.475 HG22 ' HD1' ' A' ' 28' ' ' PHE . 64.8 mt -63.11 -54.63 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.843 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.465 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 63.4 m-85 -65.15 -37.23 86.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.196 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -69.7 -22.3 63.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.558 -178.029 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -86.65 -41.91 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 111.294 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.23 -20.51 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 16' ' ' PHE . 62.7 mtt180 -65.07 -32.24 73.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.497 176.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -105.9 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.57 -28.33 45.89 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.086 -172.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 93' ' ' PHE . 71.9 mt 63.98 31.73 13.51 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.177 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -86.55 83.54 7.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.531 0.682 . . . . 0.0 110.944 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.476 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 83.6 m-85 -74.66 -23.52 58.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.82 -178.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -59.94 4.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -68.53 -35.56 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.304 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 61.0 t80 -56.9 -56.89 15.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.727 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -72.37 -22.41 61.15 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -177.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.4 m -64.18 -51.21 64.89 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.694 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.97 -30.54 69.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.155 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 73.2 mt -60.59 -56.31 22.86 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.324 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.76 -19.22 64.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.062 0.458 . . . . 0.0 111.509 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -97.1 -4.66 38.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -131.57 -60.89 0.92 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.196 0.522 . . . . 0.0 110.813 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -93.97 94.13 8.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.552 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 t -88.83 5.34 4.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.706 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 m -110.61 -88.39 0.51 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.144 -0.348 . . . . 0.0 111.883 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -170.1 160.43 8.08 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.583 0.23 . . . . 0.0 111.039 -175.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.488 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 50.0 p90 -136.66 146.38 45.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 174.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.21 113.75 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.185 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.761 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 4.0 t80 -96.45 115.55 27.62 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.672 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -90.61 119.16 30.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.248 0.547 . . . . 0.0 110.758 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 97' ' ' ARG . 96.0 mt -88.28 103.18 15.55 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.767 -175.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . 151.47 -69.45 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 125.223 1.577 . . . . 0.0 108.497 -176.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.2 p -83.18 -13.49 55.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 62.37 30.32 17.37 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.1 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 4.7 m-20 -86.31 109.29 18.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.186 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.39 115.21 33.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.93 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -99.56 98.4 9.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mp -90.31 110.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.292 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -91.78 101.63 12.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.49 164.49 21.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.885 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -67.74 -18.93 65.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.343 0.592 . . . . 0.0 110.521 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 24.4 t-20 -82.7 5.84 19.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.707 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 35.0 t70 77.42 -15.21 0.77 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.894 0.878 . . . . 0.0 111.257 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -65.36 106.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.369 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 m -87.88 116.47 26.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 t -100.18 111.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.471 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.768 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.1 pt? -96.58 121.89 38.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.24 0.543 . . . . 0.0 110.555 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 12' ' ' PHE . 28.7 mt -103.89 105.42 15.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.484 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -77.24 95.48 4.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 171.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.23 -72.13 0.61 Allowed Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.247 -0.888 . . . . 0.0 113.413 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -110.55 -79.67 0.58 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -174.22 -72.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.241 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -157.97 105.91 1.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.309 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.4 mm -119.29 90.77 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.7 p -83.37 90.94 2.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.048 0.928 . . . . 0.0 111.721 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.5 p -111.61 8.3 20.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.328 172.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.472 HG22 ' HB1' ' A' ' 101' ' ' ALA . 19.6 t -84.77 135.5 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.447 -176.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -115.85 158.46 22.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.193 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -77.2 81.9 3.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.339 0.59 . . . . 0.0 110.131 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.526 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 57.6 m -155.7 166.26 34.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.703 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HB2' HD21 ' A' ' 127' ' ' LEU . 50.5 pttt -146.13 87.1 1.73 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.577 0.703 . . . . 0.0 109.666 173.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -118.86 118.72 32.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.884 -174.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -78.73 -27.56 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.532 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -66.74 -38.56 86.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.702 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.4 tp -64.29 -43.35 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.23 -51.08 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.218 0.532 . . . . 0.0 109.722 175.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -53.54 -44.04 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.745 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -69.87 -36.86 75.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.848 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.9 m -67.65 -38.73 84.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.9 m -59.62 -45.61 91.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.003 0.43 . . . . 0.0 110.44 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 87' ' ' LYS . 64.0 t30 -70.79 -29.09 65.18 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.417 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -63.87 -42.47 97.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.174 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 38.9 tp -68.49 -36.28 78.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.959 175.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 22.9 tptm -62.51 -52.81 62.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.415 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.5 m -82.97 -55.25 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -95.08 -22.89 17.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -171.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 45.7 mt-10 73.72 -40.93 0.47 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.272 0.629 . . . . 0.0 112.273 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 95' ' ' GLU . 29.8 pt 43.44 -148.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.498 0.719 . . . . 0.0 111.419 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.48 ' HB ' ' OE2' ' A' ' 95' ' ' GLU . 50.9 m -119.8 150.31 40.63 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 171.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.518 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 9.9 t80 -57.87 -22.93 50.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.761 0.315 . . . . 0.0 111.172 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.411 ' HB2' ' OE2' ' A' ' 95' ' ' GLU . 12.5 mm-40 -62.52 -55.64 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' OE2' ' HB ' ' A' ' 92' ' ' THR . 2.4 mp0 -63.33 -36.85 85.08 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.701 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -56.35 -47.92 77.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.798 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.597 ' HB3' HD22 ' A' ' 44' ' ' LEU . 55.0 mtm-85 -75.29 -22.07 58.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.926 0.393 . . . . 0.0 110.891 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.647 ' HA ' ' HE ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -80.12 -34.99 37.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.991 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -37.04 84.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 110.202 175.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.93 -38.61 89.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.481 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -63.74 -30.63 71.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.959 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.25 -30.44 67.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.086 0.469 . . . . 0.0 110.605 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.32 57.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.611 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 95.77 7.79 58.61 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.728 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.72 115.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.034 0.445 . . . . 0.0 110.024 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -115.03 -24.45 8.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.549 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.623 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 41.7 ttm180 -121.64 103.51 8.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.241 0.543 . . . . 0.0 110.877 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.761 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.5 t90 -96.51 106.67 18.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.273 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 107' ' ' ARG . 48.4 t -110.04 104.87 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.781 0.324 . . . . 0.0 111.104 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 41.5 m -92.48 114.9 27.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 174.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -94.14 107.61 19.53 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.5 mm -64.95 -47.88 86.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -72.93 -27.61 61.95 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.332 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -91.35 -10.56 40.78 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.494 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 64.45 35.49 9.49 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.82 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.59 154.62 47.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.98 0.419 . . . . 0.0 111.766 -176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.519 ' HB2' ' HG2' ' A' ' 130' ' ' GLU . 86.2 mtt180 -113.59 114.87 27.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.369 170.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.453 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 75.6 m-85 -97.73 113.58 25.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.529 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -97.61 105.25 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.342 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.623 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 92.3 m-85 -103.14 141.0 36.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.979 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.492 ' HB ' HD11 ' A' ' 127' ' ' LEU . 9.7 t -80.16 171.05 15.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.481 175.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -66.55 -10.33 44.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.843 0.354 . . . . 0.0 111.417 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.459 ' H ' HG23 ' A' ' 121' ' ' THR . 25.1 t70 -95.76 13.22 27.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.099 0.476 . . . . 0.0 110.64 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 73.2 4.74 4.97 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.139 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.6 t -88.23 146.11 25.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.846 0.355 . . . . 0.0 110.577 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 62.6 tp -85.84 124.83 32.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.132 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 74' ' ' LYS . 84.6 mt -103.73 -47.13 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.465 -178.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -140.72 149.69 42.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.495 -174.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 54.6 m -147.54 120.0 8.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.218 176.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.519 ' HG2' ' HB2' ' A' ' 117' ' ' ARG . 14.3 pt-20 -115.27 174.3 6.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.016 178.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.4 m -127.61 129.21 46.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.293 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.5 pt -94.96 30.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -172.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 121.258 0.551 . . . . 0.0 110.75 177.547 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 N--CA 1.461 0.109 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.553 ' HA ' HD13 ' A' ' 11' ' ' ILE . 7.0 tp60 -56.02 -29.29 60.16 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.659 0.384 . . . . 0.0 111.71 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.2 t -56.49 -36.84 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 121.141 0.496 . . . . 0.0 110.655 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 57.4 t -66.42 -47.21 84.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' A' ' 8' ' ' GLN . 3.2 mp -57.29 -51.55 68.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.686 ' HB3' HD11 ' A' ' 61' ' ' LEU . 25.6 m-85 -63.58 -38.96 93.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.383 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 1.3 ttmm -60.01 -46.06 90.72 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.353 176.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 10' ' ' VAL . 80.1 mm-40 -57.71 -35.73 71.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.058 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.59 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 78.7 mt -61.46 -57.31 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.724 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -68.4 -35.66 78.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.345 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -74.66 -15.44 60.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.191 -175.639 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -87.01 -50.01 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 0.0 110.121 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.73 ' HB ' ' HE1' ' A' ' 27' ' ' TRP . 12.4 p -71.89 -24.13 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -173.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.516 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 13.3 ptm180 -58.48 -25.02 61.87 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.46 -45.83 3.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.651 0.262 . . . . 0.0 111.62 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -76.84 -22.61 53.31 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -172.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.404 HD21 ' H ' ' A' ' 93' ' ' PHE . 96.4 mt 62.57 17.3 9.53 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.289 0.368 . . . . 0.0 111.908 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.477 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 13.5 p-10 -80.27 75.67 7.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.365 0.602 . . . . 0.0 110.224 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -59.24 -29.47 67.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.746 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -32.15 65.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.73 ' HE1' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -79.02 -41.31 29.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.44 0.638 . . . . 0.0 109.936 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.451 ' CE2' HD11 ' A' ' 32' ' ' LEU . 46.7 t80 -77.98 -40.23 39.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.221 -167.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.44 ' HA ' HD12 ' A' ' 32' ' ' LEU . 56.4 m-85 -69.01 -21.92 64.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.022 0.439 . . . . 0.0 110.471 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.8 m -71.91 -47.43 52.65 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 171.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.45 -42.61 74.49 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 28' ' ' PHE . 93.4 mt -57.56 -57.48 12.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.216 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.41 -29.9 70.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.031 0.444 . . . . 0.0 110.844 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 34' ' ' ARG . 15.5 mmm-85 -71.91 -47.58 51.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.932 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -108.46 -53.69 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.067 0.461 . . . . 0.0 111.121 -168.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -89.33 79.56 7.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.402 0.62 . . . . 0.0 110.402 -177.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.41 -19.13 19.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.426 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.566 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 17.6 t -103.2 -86.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.514 -175.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -171.21 153.03 3.54 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.488 0.185 . . . . 0.0 110.76 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.524 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 43.1 p90 -124.08 144.66 49.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.378 . . . . 0.0 110.576 176.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.0 mt -115.73 109.06 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.071 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.773 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.6 OUTLIER -99.24 109.98 22.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.129 -176.391 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -88.72 113.17 23.99 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.82 -35.33 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . -67.34 -38.94 85.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.8 p -100.08 -6.76 25.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' OE2' HG13 ' A' ' 67' ' ' ILE . 46.8 mt-10 59.45 20.58 8.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.16 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 95.8 m-20 -86.03 116.37 24.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.2 0.524 . . . . 0.0 110.647 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.0 t -99.66 106.98 19.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.836 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -91.57 93.21 8.84 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.544 -0.098 . . . . 0.0 110.988 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.49 102.56 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.566 ' O ' ' HB3' ' A' ' 38' ' ' SER . 14.0 t -87.98 114.05 26.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.7 mt -79.8 168.68 18.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.53 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -81.4 -3.86 54.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.729 0.776 . . . . 0.0 109.422 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -101.81 25.96 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.509 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 t70 76.46 -32.4 0.2 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.342 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.48 126.68 28.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.909 0.385 . . . . 0.0 111.764 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.5 m -103.88 113.12 26.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.57 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.7 t -90.35 103.25 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -99.63 122.5 42.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.575 0.703 . . . . 0.0 110.79 -178.166 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.686 HD11 ' HB3' ' A' ' 12' ' ' PHE . 8.8 mt -110.13 -175.23 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.866 -176.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 66.0 mttm -130.55 134.57 47.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.288 167.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.69 -68.99 1.41 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.776 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.425 HD23 HH12 ' A' ' 20' ' ' ARG . 1.1 tm? -143.19 -41.97 0.3 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -147.88 -90.63 0.08 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.967 -176.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 175.55 110.1 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.76 0.824 . . . . 0.0 109.567 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.604 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 70.3 mt -89.87 87.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.306 0.574 . . . . 0.0 111.071 -177.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 t -86.55 24.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.993 0.902 . . . . 0.0 109.675 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.3 m -98.61 11.92 36.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.242 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.447 HG22 ' HB1' ' A' ' 101' ' ' ALA . 80.3 t -66.27 134.5 29.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.183 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 75.3 mmtt -85.87 134.71 33.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.092 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -80.2 80.76 6.58 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.5 m -138.43 171.62 14.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.168 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.5 ' HG2' HG21 ' A' ' 121' ' ' THR . 96.3 mttt -141.9 78.38 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -134.83 131.73 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.514 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.457 ' CG ' ' HD1' ' A' ' 128' ' ' PHE . 33.0 ttp180 -92.84 -18.16 23.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.342 178.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -65.18 -42.22 93.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.014 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 26.3 tp -65.6 -37.98 88.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.882 0.372 . . . . 0.0 110.339 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.96 -49.61 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.306 0.574 . . . . 0.0 109.682 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -54.95 -47.47 74.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.023 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.4 m -65.46 -39.19 91.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.969 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.5 m -70.27 -36.2 74.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.975 0.417 . . . . 0.0 110.451 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.0 t -66.21 -40.4 90.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.737 175.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.31 -46.56 88.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.012 175.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -62.65 -40.06 95.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.33 -35.24 79.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -72.34 -39.88 67.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.815 0.341 . . . . 0.0 111.461 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.2 m -89.55 -32.11 17.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -175.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -100.42 -33.14 10.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 59.81 74.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.88 0.848 . . . . 0.0 109.014 -168.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 37.3 pt -87.63 166.8 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.008 -176.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -64.61 139.66 58.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.16 176.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.491 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 30.7 t80 -55.89 -30.61 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.06 0.457 . . . . 0.0 111.05 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -63.33 -41.55 98.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.297 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -40.09 70.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.443 0.64 . . . . 0.0 109.686 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -55.69 -44.46 77.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.391 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.54 ' HA ' HD12 ' A' ' 100' ' ' LEU . 25.1 mtp85 -73.57 -28.04 61.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.678 -177.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 71.8 mtt-85 -59.43 -47.99 83.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.982 0.42 . . . . 0.0 110.728 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.558 ' HA ' ' HD2' ' A' ' 102' ' ' LYS . 48.6 m-80 -74.47 -24.65 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.956 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 97' ' ' ARG . 71.0 mt -63.0 -43.93 97.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.888 0.375 . . . . 0.0 110.201 171.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -63.7 -30.43 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.67 176.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HD2' ' HA ' ' A' ' 99' ' ' ASN . 95.3 mttt -71.05 -29.37 65.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.753 177.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' HB2' ' HB3' ' A' ' 78' ' ' LEU . . . -82.07 -10.25 59.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 121' ' ' THR . . . 103.11 9.42 39.38 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.779 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.1 t -72.73 99.79 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.312 0.577 . . . . 0.0 110.148 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.445 ' HE1' ' HB3' ' A' ' 45' ' ' ALA . 49.7 t80 -97.32 -31.13 12.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.889 -177.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.69 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 42.4 ttm180 -124.01 104.92 9.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.219 0.533 . . . . 0.0 111.132 -173.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.773 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 3.6 t-105 -92.85 109.39 20.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.341 177.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.4 t -111.64 128.32 68.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.687 0.28 . . . . 0.0 110.58 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.524 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 57.7 m -127.34 112.1 14.64 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.961 0.41 . . . . 0.0 110.494 175.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.415 ' HB2' ' HB2' ' A' ' 114' ' ' GLU . 15.0 m120 -95.16 111.35 23.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.352 178.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.6 mm -65.28 -56.57 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.132 -172.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -79.47 9.24 5.04 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.235 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 56.1 mm-40 -109.52 -20.53 12.84 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 64.11 39.61 7.57 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.288 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -131.95 148.42 52.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.972 0.415 . . . . 0.0 111.737 -176.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.447 ' NH2' ' HG2' ' A' ' 130' ' ' GLU . 15.7 mtm180 -121.28 112.43 18.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -101.66 126.15 48.45 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.942 0.401 . . . . 0.0 110.406 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -104.72 103.45 13.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.145 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.69 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 94.8 m-85 -104.21 143.55 32.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.066 0.46 . . . . 0.0 110.988 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.5 HG21 ' HG2' ' A' ' 74' ' ' LYS . 10.1 t -82.3 -178.71 7.15 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 172.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -61.3 -21.3 63.82 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.124 0.488 . . . . 0.0 111.383 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.488 ' H ' HG23 ' A' ' 121' ' ' THR . 34.8 t70 -97.44 21.2 10.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.273 0.558 . . . . 0.0 110.323 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.444 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 2.3 p-10 49.4 25.17 1.23 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.413 1.085 . . . . 0.0 112.236 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.441 ' HB2' HG22 ' A' ' 121' ' ' THR . 5.1 m -77.66 125.28 29.09 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -70.67 110.77 5.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.274 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.5 HD11 ' HB ' ' A' ' 121' ' ' THR . 89.6 mt -91.01 -56.44 3.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.764 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.457 ' HD1' ' CG ' ' A' ' 76' ' ' ARG . 24.2 t80 -124.96 145.38 49.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -176.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.7 m -131.54 107.52 8.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.957 0.408 . . . . 0.0 110.341 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.447 ' HG2' ' NH2' ' A' ' 117' ' ' ARG . 7.5 tp10 -112.4 153.8 26.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.881 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.6 t -122.37 127.97 50.4 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 133' ' ' GLN . 13.8 pt -86.85 50.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.796 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.444 ' HB3' ' O ' ' A' ' 132' ' ' ILE . 6.6 tp-100 . . . . . 0 N--CA 1.465 0.305 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.233 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 N--CA 1.462 0.164 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -56.58 -37.67 70.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 110.797 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.39 -33.92 52.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.967 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.8 t -68.32 -38.84 80.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.13 -50.18 81.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.044 0.45 . . . . 0.0 110.519 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.564 ' HB2' HD21 ' A' ' 61' ' ' LEU . 76.8 m-85 -68.09 -43.24 78.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.336 -178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -62.82 -32.88 74.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.523 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -59.75 -42.98 94.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.304 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.34 -52.25 60.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.246 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.495 ' HA ' HG12 ' A' ' 19' ' ' VAL . 81.8 m-85 -66.72 -29.53 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.568 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.85 -41.75 78.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.887 0.375 . . . . 0.0 110.267 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.73 -47.57 74.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 16' ' ' PHE . 11.1 p -65.89 -27.12 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.773 0.32 . . . . 0.0 111.043 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.496 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 14.0 ttp180 -61.29 -35.87 78.5 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.064 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -103.66 -43.28 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.688 -174.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.78 -26.24 21.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -170.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.515 HD11 ' HA ' ' A' ' 92' ' ' THR . 96.0 mt 62.44 31.83 16.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.017 0.437 . . . . 0.0 111.134 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -73.62 100.1 3.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.52 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -70.79 -37.68 73.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.677 0.275 . . . . 0.0 111.121 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -58.99 -56.92 16.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.14 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.2 t90 -70.36 -40.48 74.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.223 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.54 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.4 t80 -56.7 -57.87 10.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.572 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -69.44 -28.89 66.51 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.685 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -68.05 -44.07 77.25 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.622 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -68.67 -33.92 74.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.783 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 77.1 mt -59.75 -52.22 66.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 174.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.12 -26.1 68.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.146 0.498 . . . . 0.0 110.835 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -80.31 -21.29 42.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.948 -176.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -130.09 -56.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 111.097 -174.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.424 ' ND2' ' HD1' ' A' ' 40' ' ' TYR . 38.0 t30 -87.38 89.56 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.739 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 113' ' ' HIS . 48.4 t -78.78 -29.34 14.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.271 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.465 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 35.4 m -94.06 -82.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -175.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -169.98 146.53 3.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.669 0.271 . . . . 0.0 111.258 -174.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.509 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 48.2 p90 -116.12 137.78 51.83 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.482 HG23 HG22 ' A' ' 109' ' ' VAL . 48.5 mt -112.0 106.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.372 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.746 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -96.68 107.54 20.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.739 -177.689 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.22 107.8 18.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HG ' HH11 ' A' ' 97' ' ' ARG . 6.7 mp -67.92 159.97 29.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.501 -178.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.678 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 75.39 -49.65 0.63 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.446 0.698 . . . . 0.0 111.193 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 m -84.76 -23.66 29.14 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 61.06 37.73 17.69 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.87 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -99.18 108.11 20.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.718 173.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -98.95 111.4 28.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.441 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -100.85 99.5 10.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.628 0.251 . . . . 0.0 110.452 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -89.17 110.16 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.034 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' O ' ' HB2' ' A' ' 38' ' ' SER . 43.8 t -91.25 109.37 21.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.24 -174.23 0.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.104 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -52.68 -65.09 0.62 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 -177.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -151.54 18.97 0.72 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.894 0.854 . . . . 0.0 108.789 175.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.96 -84.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.851 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -156.57 168.29 27.85 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.0 m -96.16 123.8 39.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.267 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -99.4 116.26 42.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.745 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.9 pt? -103.25 114.21 28.31 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.398 0.618 . . . . 0.0 111.229 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 12' ' ' PHE . 23.9 mt -85.61 88.97 7.6 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 172.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -80.86 100.02 8.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.558 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.58 137.46 7.54 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.553 176.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.2 tp -118.39 -58.04 2.02 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -167.72 -70.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.685 176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.434 ' CG ' ' H ' ' A' ' 67' ' ' ILE . 15.5 t-20 -153.41 -138.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.678 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 80.0 mt 72.99 104.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 C-N-CA 123.231 0.613 . . . . 0.0 110.229 -175.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 68' ' ' VAL . 5.8 p -156.91 97.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.695 0.759 . . . . 0.0 110.981 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -158.8 30.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.669 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 45' ' ' ALA . 75.7 t -64.6 121.77 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.842 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' A' ' 102' ' ' LYS . 62.1 mttm -78.41 160.32 27.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.497 -176.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -85.65 2.01 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.594 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.0 m -89.95 161.1 16.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.669 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.83 110.63 7.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.01 0.434 . . . . 0.0 110.366 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -127.98 136.75 51.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.641 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -98.58 -23.57 15.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.61 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -68.42 -34.59 76.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.697 0.284 . . . . 0.0 110.992 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.8 tp -69.2 -34.77 75.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.99 -48.26 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -55.82 -54.24 46.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.437 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 p -63.9 -34.81 78.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.805 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.45 HG22 ' CD1' ' A' ' 96' ' ' TYR . 47.1 m -70.28 -39.27 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 110.618 177.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -59.81 -51.72 68.54 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.285 174.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -63.61 -33.15 74.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.497 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -60.74 -48.89 79.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.112 177.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.64 -44.61 89.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.481 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.62 -35.31 72.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.548 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 m -92.35 -48.8 6.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -98.44 -17.73 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -170.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 58.85 71.41 0.59 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.425 0.631 . . . . 0.0 109.968 -171.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 36.7 pt -89.01 160.57 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.898 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.547 ' HB ' ' HG2' ' A' ' 95' ' ' GLU . 4.1 m -60.4 142.8 54.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.721 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.496 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 41.3 t80 -60.81 -27.64 68.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.945 0.403 . . . . 0.0 110.904 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -69.01 -39.31 79.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.547 ' HG2' ' HB ' ' A' ' 92' ' ' THR . 12.9 mm-40 -70.98 -36.47 72.53 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.122 0.487 . . . . 0.0 110.168 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.45 ' CD1' HG22 ' A' ' 82' ' ' THR . 69.3 t80 -60.27 -52.0 67.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.409 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 97' ' ' ARG . 34.5 mtm180 -72.14 -26.2 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.632 -178.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.577 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 13.8 ttm-85 -58.14 -56.38 22.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 178.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -66.41 -34.22 77.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.377 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.494 ' HG ' ' HB ' ' A' ' 105' ' ' VAL . 16.3 tp -64.76 -38.65 91.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.403 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.94 72.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.65 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 72.8 mmtt -68.42 -24.85 64.79 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.105 0.479 . . . . 0.0 110.006 176.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.07 -16.44 56.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.047 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.51 7.35 39.88 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.594 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.494 ' HB ' ' HG ' ' A' ' 100' ' ' LEU . 61.3 t -76.95 107.92 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.235 0.54 . . . . 0.0 110.617 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -104.69 -29.65 10.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.524 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.929 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 37.7 ttt180 -118.52 105.43 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.753 -174.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.746 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.8 t90 -92.57 105.43 17.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.568 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.482 HG22 HG23 ' A' ' 41' ' ' ILE . 61.0 t -112.38 114.64 47.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 122.167 -0.333 . . . . 0.0 110.491 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.524 HG23 ' HG2' ' A' ' 117' ' ' ARG . 95.2 m -117.93 111.2 18.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.117 0.484 . . . . 0.0 111.149 178.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.534 ' HB3' ' HG2' ' A' ' 114' ' ' GLU . 7.7 m120 -88.12 103.81 16.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.695 175.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.416 HD11 HD13 ' A' ' 32' ' ' LEU . 48.3 mm -65.19 -38.46 82.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.295 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 57.1 t-80 -63.56 -29.21 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.906 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.534 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 38.1 mm-40 -95.69 -14.95 23.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.026 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 62.95 37.73 11.69 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.565 0.54 . . . . 0.0 110.691 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 58.4 mtpt -138.42 136.67 36.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.504 -175.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.524 ' HG2' HG23 ' A' ' 110' ' ' THR . 20.4 mtm180 -105.18 126.66 52.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.798 174.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -108.31 126.28 52.65 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.075 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -104.89 109.08 20.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.434 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.929 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 82.7 m-85 -102.97 139.38 38.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.783 ' HB ' HD11 ' A' ' 127' ' ' LEU . 5.0 t -80.37 174.37 11.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.69 174.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -63.85 -17.56 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.501 0.667 . . . . 0.0 110.553 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 124' ' ' ASN . 3.6 m-20 -72.02 -8.88 57.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.761 176.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 123' ' ' ASP . 25.7 m-80 68.56 25.15 6.74 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.701 0.626 . . . . 0.0 110.43 -174.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.9 t -104.21 139.59 39.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.456 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.3 tp -72.92 113.4 9.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.984 0.421 . . . . 0.0 110.602 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.783 HD11 ' HB ' ' A' ' 121' ' ' THR . 85.3 mt -86.08 -63.65 1.28 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.747 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -124.75 139.64 53.67 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.06 -173.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.9 m -117.79 105.11 11.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.959 0.409 . . . . 0.0 110.249 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -112.61 111.93 23.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.511 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 15.3 m -74.66 137.89 42.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.489 HG23 ' HG3' ' A' ' 117' ' ' ARG . 28.0 pt -88.64 6.02 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.125 0.488 . . . . 0.0 110.725 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.471 ' HA ' HD13 ' A' ' 11' ' ' ILE . 46.4 tt0 -64.17 -23.29 67.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.04 -170.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.62 -36.42 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.877 0.37 . . . . 0.0 110.432 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.7 t -61.69 -41.47 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 8' ' ' GLN . 2.5 mp -62.22 -54.76 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.57 ' HB2' HD21 ' A' ' 61' ' ' LEU . 72.2 m-85 -66.4 -40.16 89.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.486 -177.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HA ' HD13 ' A' ' 61' ' ' LEU . 18.9 ttpp -62.34 -36.31 81.8 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.31 -37.77 88.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.86 -51.55 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.225 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.618 ' HA ' HG12 ' A' ' 19' ' ' VAL . 87.1 m-85 -69.9 -32.88 71.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.879 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.7 -39.46 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.533 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -91.5 -38.95 12.22 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.952 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -63.93 -29.04 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -175.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -70.56 -12.02 61.3 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 111.455 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 9.1 t30 -114.54 -54.48 2.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -177.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.8 -15.78 33.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.06 -173.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.419 HD21 ' H ' ' A' ' 93' ' ' PHE . 89.7 mt 61.01 34.03 19.47 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.405 0.441 . . . . 0.0 112.044 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -79.43 86.95 5.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.616 0.722 . . . . 0.0 110.745 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 77.7 m-85 -80.0 -24.03 41.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.6 -176.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -58.18 -51.49 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.371 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -74.09 -31.57 62.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.911 0.386 . . . . 0.0 110.444 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.5 t80 -60.01 -57.64 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.395 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -66.38 -31.73 72.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.4 m -63.86 -46.68 83.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.9 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -68.74 -32.41 72.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.854 178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 76.6 mt -60.4 -49.37 77.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.922 0.392 . . . . 0.0 110.431 176.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -73.06 -12.14 60.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.591 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -100.04 -16.93 17.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.973 0.416 . . . . 0.0 111.359 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -127.57 -46.24 1.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.958 -0.463 . . . . 0.0 111.363 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.28 79.61 9.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.13 0.49 . . . . 0.0 109.853 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -70.88 -32.61 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.038 -176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 p -103.15 -82.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.244 -0.583 . . . . 0.0 111.917 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 48.0 p-80 -163.52 157.23 19.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.741 0.305 . . . . 0.0 111.286 -173.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.561 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 44.0 p90 -128.11 141.39 51.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 174.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 41' ' ' ILE . 4.3 mp -107.83 109.39 28.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.146 -178.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.586 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.1 t80 -90.49 112.17 23.72 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.841 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -90.69 113.6 25.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.968 0.413 . . . . 0.0 109.914 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.97 158.77 35.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.851 -177.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . 69.36 -66.75 0.25 Allowed 'General case' 0 C--O 1.223 -0.303 0 O-C-N 124.014 0.821 . . . . 0.0 110.766 -173.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 m -60.52 -27.49 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.125 0.488 . . . . 0.0 110.428 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 46.6 mt-10 61.5 26.25 16.02 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.239 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.558 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 5.1 m-20 -89.77 99.18 12.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.572 175.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.9 t -89.86 111.78 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.872 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -92.47 93.86 8.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.722 -177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.4 105.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.006 0.431 . . . . 0.0 110.642 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 t -87.29 114.25 26.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 172.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.37 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.281 0.563 . . . . 0.0 111.28 -176.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.448 ' HG2' ' OD1' ' A' ' 55' ' ' ASN . 45.1 tttm -115.52 -65.61 1.17 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.09 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' OD1' ' HG2' ' A' ' 54' ' ' LYS . 4.5 p-10 -171.0 20.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.838 175.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -113.81 -33.8 5.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.714 -170.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -153.52 149.42 27.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.383 . . . . 0.0 110.772 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.5 m -120.24 106.04 11.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.802 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.61 103.17 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.17 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.859 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.9 pt? -93.48 118.75 31.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.256 0.551 . . . . 0.0 110.519 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 12' ' ' PHE . 26.2 mt -90.86 175.83 6.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.95 -177.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -142.99 124.45 14.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.985 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.37 -117.99 0.63 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.648 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.4 mt -84.17 -69.8 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 34.5 ttmt 178.82 -50.17 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.285 0.366 . . . . 0.0 111.213 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.498 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 39.9 t-20 -145.59 -55.15 0.29 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 66' ' ' ASN . 10.9 tp 58.18 -54.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.527 1.531 . . . . 0.0 114.289 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.76 136.97 59.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 120.861 0.363 . . . . 0.0 110.792 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 m -82.63 106.95 14.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.61 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.592 HG23 ' HB2' ' A' ' 45' ' ' ALA . 89.5 t -68.56 113.65 4.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -85.1 135.23 34.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.907 -174.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.474 ' HA ' ' HE1' ' A' ' 122' ' ' PHE . 16.2 p90 -67.43 90.22 0.24 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 122.119 0.962 . . . . 0.0 110.786 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.401 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 22.8 m -146.13 177.82 8.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.36 178.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -151.4 72.49 1.04 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.451 0.643 . . . . 0.0 109.832 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -115.16 120.82 41.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.091 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.512 ' HA ' HD12 ' A' ' 79' ' ' ILE . 28.9 ptt180 -92.17 -13.38 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.797 -176.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -71.47 -40.29 70.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.491 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 103' ' ' ALA . 42.1 tp -64.26 -42.65 96.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 76' ' ' ARG . 66.1 mt -57.4 -50.34 77.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.624 174.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.37 -50.08 63.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.109 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.9 m -62.18 -38.57 89.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.797 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.497 HG22 ' CD1' ' A' ' 96' ' ' TYR . 31.1 m -67.94 -45.4 74.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.714 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.2 m -58.06 -42.27 85.11 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -70.52 -40.14 73.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.732 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.728 ' HE3' HD13 ' A' ' 91' ' ' ILE . 36.2 ttpt -63.33 -41.56 98.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.314 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.431 ' HA ' HG12 ' A' ' 91' ' ' ILE . 54.1 tp -71.2 -41.87 69.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.882 -0.511 . . . . 0.0 110.567 177.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' HB2' ' HZ2' ' A' ' 87' ' ' LYS . 4.2 ttmp? -70.26 -39.33 75.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.683 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.5 m -94.89 -36.39 11.64 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -175.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 89' ' ' ARG . 20.6 ttt180 -97.35 -27.52 14.45 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.461 -173.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 62.95 70.34 0.55 Allowed 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.721 0.638 . . . . 0.0 110.172 -172.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.728 HD13 ' HE3' ' A' ' 85' ' ' LYS . 46.4 pt -85.48 -179.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.726 176.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.441 ' HB ' ' HG3' ' A' ' 95' ' ' GLU . 1.8 m -74.87 143.01 44.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.076 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.582 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 63.8 t80 -62.62 -30.37 71.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.996 0.426 . . . . 0.0 110.341 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.565 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 10.0 tt0 -64.96 -38.55 91.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.608 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 37.5 mt-10 -67.6 -34.48 77.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.358 0.599 . . . . 0.0 109.92 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.497 ' CD1' HG22 ' A' ' 82' ' ' THR . 38.0 t80 -64.49 -49.56 70.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.425 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 1.0 OUTLIER -65.89 -32.53 74.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.733 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 93.7 mtt-85 -67.33 -44.1 79.95 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.61 0.243 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.04 -42.41 99.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.1 mt -65.41 -39.24 91.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.067 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.59 96.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.426 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -79.16 -12.49 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.5 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.497 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -82.88 -14.45 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.171 0.51 . . . . 0.0 110.571 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 105.75 8.67 34.25 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.544 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.32 120.24 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.946 0.403 . . . . 0.0 110.179 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -118.94 -26.44 6.01 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.056 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.495 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 10.0 ttp85 -123.6 99.73 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.588 0.709 . . . . 0.0 110.501 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.586 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.3 t90 -97.74 99.55 10.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.534 -177.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 118' ' ' TYR . 44.8 t -104.49 105.39 18.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.761 0.315 . . . . 0.0 111.219 -174.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.561 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 30.4 m -97.52 109.28 22.06 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.74 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.488 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 62.8 t30 -97.05 96.66 8.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.165 -177.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.7 mm -64.14 -29.11 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.266 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -61.5 -21.8 64.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.218 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -116.4 -8.45 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.411 ' CB ' ' HB2' ' A' ' 133' ' ' GLN . 82.4 mm-40 60.84 33.76 19.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.389 0.614 . . . . 0.0 109.814 -173.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -120.73 150.5 40.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.603 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 129' ' ' THR . 39.0 ttm180 -121.29 108.51 13.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.829 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.417 ' HB2' ' HB ' ' A' ' 109' ' ' VAL . 89.3 m-85 -94.46 133.53 37.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.079 -175.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.74 113.62 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.474 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.495 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 77.3 m-85 -113.63 140.97 47.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.198 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.612 ' HB ' HD11 ' A' ' 127' ' ' LEU . 10.0 t -83.97 167.49 16.88 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.474 ' HE1' ' HA ' ' A' ' 72' ' ' PHE . 47.5 p90 -66.89 -20.69 65.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 110.924 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.26 0.73 20.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.658 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 54.1 t30 64.1 79.18 0.26 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.534 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.5 m -152.53 132.84 13.65 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.132 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.06 103.88 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.044 0.45 . . . . 0.0 109.807 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.612 HD11 ' HB ' ' A' ' 121' ' ' THR . 79.5 mt -80.09 -52.46 7.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.549 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -151.33 158.12 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.922 -177.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 61.5 m -149.8 111.58 4.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.235 177.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -104.88 157.98 16.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.0 t -119.41 132.17 55.78 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.611 -0.435 . . . . 0.0 109.909 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.411 HG12 ' H ' ' A' ' 132' ' ' ILE . 6.6 pt -83.83 -0.4 5.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.539 0.685 . . . . 0.0 110.046 176.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.411 ' HB2' ' CB ' ' A' ' 115' ' ' GLN . 13.0 tm0? . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 171.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.632 ' HA ' HD13 ' A' ' 11' ' ' ILE . 3.2 pt20 -67.6 -14.61 63.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.175 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.92 -38.69 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 48.5 t -65.88 -31.91 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.646 175.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.632 HD13 ' HA ' ' A' ' 8' ' ' GLN . 1.8 mp -67.14 -57.42 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.641 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.528 ' HB3' HD11 ' A' ' 61' ' ' LEU . 80.7 m-85 -66.67 -44.69 81.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.783 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.14 -36.2 82.83 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.47 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 50.9 tt0 -61.67 -39.52 91.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 11' ' ' ILE . 67.6 mt -56.69 -54.85 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -66.79 -38.08 85.82 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.456 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.32 -46.06 78.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB3' ' HE2' ' A' ' 18' ' ' LYS . 37.8 mtpt -75.11 -37.52 61.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.494 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.25 -22.59 31.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.707 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.583 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 12.3 mtm180 -56.53 -36.9 69.75 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.611 173.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -106.77 -41.86 5.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.776 -174.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.85 -32.31 72.73 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 93' ' ' PHE . 66.9 mt 61.19 28.63 18.22 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.499 0.499 . . . . 0.0 110.975 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -91.04 79.12 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.686 0.755 . . . . 0.0 110.67 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -64.9 -31.25 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.042 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -54.73 -55.9 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.591 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -67.98 -38.27 82.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.546 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.556 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 59.1 t80 -55.11 -55.88 26.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.2 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -70.53 -29.13 65.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.597 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 66.6 m -61.84 -51.75 66.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.745 0.307 . . . . 0.0 110.485 177.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' A' ' 35' ' ' HIS . 49.8 mm-40 -68.6 -30.66 69.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.151 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 54.8 mt -58.9 -58.02 10.47 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.254 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -58.8 -34.95 72.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 111.463 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 30' ' ' SER . 78.0 mtp180 -66.41 -41.75 88.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.658 0.266 . . . . 0.0 111.648 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 31' ' ' GLU . 24.3 m-70 -103.78 -59.06 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.482 . . . . 0.0 110.236 -172.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -96.82 85.17 3.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.655 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.8 t -79.18 -17.6 13.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.727 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.54 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 14.8 m -93.21 -83.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.492 -175.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.652 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 7.5 p-80 -176.18 154.6 1.41 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.68 0.276 . . . . 0.0 111.562 -175.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.529 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 51.2 p90 -124.91 139.36 53.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.542 178.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 41' ' ' ILE . 4.5 mp -105.61 101.59 12.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.575 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.608 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 3.3 t80 -95.39 107.88 20.05 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.89 -175.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 106' ' ' PHE . 75.8 m-85 -88.02 124.7 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.521 174.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -77.31 -174.7 3.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.102 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.54 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . 71.29 -66.93 0.28 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.403 0.681 . . . . 0.0 111.531 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.4 p -89.76 -18.5 26.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.264 0.554 . . . . 0.0 109.97 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.442 ' CD ' HH12 ' A' ' 20' ' ' ARG . 5.9 mt-10 65.1 50.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.632 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.603 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 94.9 m-20 -88.74 95.63 10.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.715 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 14.5 t -94.39 107.39 19.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.469 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -90.47 95.43 10.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 58' ' ' THR . 65.0 mt -92.38 106.0 17.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.315 -177.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.54 ' O ' ' HB2' ' A' ' 38' ' ' SER . 44.8 t -86.03 110.57 20.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.1 mt -76.45 170.81 15.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.865 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -70.81 -7.52 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.32 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 66.5 t30 -105.3 20.22 19.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.778 -178.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 11.7 t70 77.32 -35.7 0.22 Allowed 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.015 177.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -57.83 133.88 55.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 46.5 m -106.67 119.93 40.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.187 0.518 . . . . 0.0 110.96 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.9 t -91.31 103.08 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 3.7 pp -93.15 126.63 38.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.181 0.515 . . . . 0.0 110.435 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.603 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 40.5 mt -105.83 146.8 29.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.095 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -123.26 105.79 10.16 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.575 ' O ' ' HG ' ' A' ' 64' ' ' LEU . . . -61.87 -55.27 29.32 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.264 -178.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 63' ' ' GLY . 4.6 pp 52.66 7.28 0.06 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.703 1.201 . . . . 0.0 114.008 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -112.76 9.75 19.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.178 0.513 . . . . 0.0 110.233 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -154.89 78.94 1.06 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.204 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 37.7 mm -87.65 95.88 5.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.335 -177.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.07 136.09 32.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.47 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 m -70.57 102.95 2.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.777 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 45' ' ' ALA . 24.6 t -94.62 135.44 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.064 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -99.72 -175.52 3.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.002 0.429 . . . . 0.0 110.861 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.525 ' HD1' ' HB3' ' A' ' 122' ' ' PHE . 27.0 m-85 -109.68 21.02 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.51 0.671 . . . . 0.0 109.259 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.43 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 14.9 m -76.53 166.78 22.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.038 -175.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.77 80.95 1.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.815 176.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.477 ' HB2' ' HA ' ' A' ' 103' ' ' ALA . 4.1 m-20 -106.96 85.3 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.046 0.45 . . . . 0.0 111.088 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.515 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 42.6 ttm180 -69.27 -38.24 78.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.077 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -61.76 -30.58 70.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.9 tp -73.41 -36.58 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.07 -49.29 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.158 0.504 . . . . 0.0 109.858 174.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 41.2 mt-10 -57.39 -48.43 79.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.0 p -66.5 -38.65 87.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.382 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.476 HG22 ' CD1' ' A' ' 96' ' ' TYR . 88.3 m -64.35 -39.95 94.9 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.614 0.245 . . . . 0.0 110.96 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -60.87 -50.03 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -62.39 -39.34 92.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.707 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.595 ' HE2' HG21 ' A' ' 91' ' ' ILE . 81.3 tttt -61.98 -36.62 82.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.337 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.49 ' HA ' HG12 ' A' ' 91' ' ' ILE . 61.3 tp -69.12 -39.66 78.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.995 0.426 . . . . 0.0 110.586 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -75.2 -31.0 60.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.116 0.484 . . . . 0.0 111.041 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.4 p -79.41 -68.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.06 -175.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 89' ' ' ARG . 0.4 OUTLIER -93.76 -2.2 54.02 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -173.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 43.0 mt-10 52.61 67.61 0.96 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.41 0.624 . . . . 0.0 110.707 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.595 HG21 ' HE2' ' A' ' 85' ' ' LYS . 48.2 pt -75.75 175.84 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.064 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.559 ' HB ' ' HG3' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -73.15 142.85 47.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.694 179.64 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.583 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 54.8 t80 -66.8 -24.16 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 110.663 -176.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -66.03 -30.33 70.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.003 174.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.559 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 38.2 mt-10 -75.68 -42.9 49.89 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.16 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.476 ' CD1' HG22 ' A' ' 82' ' ' THR . 73.0 t80 -55.17 -43.08 73.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.465 ' HD2' ' CE2' ' A' ' 93' ' ' PHE . 33.9 mtp180 -70.58 -36.97 73.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.444 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -72.32 -35.65 68.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 111.255 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.428 ' N ' HD22 ' A' ' 99' ' ' ASN . 0.9 OUTLIER -67.87 -35.12 77.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.109 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.4 mt -64.55 -37.51 87.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.889 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.533 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -58.37 -42.33 86.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.198 0.523 . . . . 0.0 110.667 177.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -68.4 -27.45 66.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.037 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.477 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . . . -77.77 -8.24 57.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.365 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 96.61 7.63 57.77 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.355 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.32 102.62 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.078 0.466 . . . . 0.0 110.304 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 55.0 t80 -103.04 -19.14 14.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.236 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.848 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 21.6 ttt180 -118.7 100.17 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.227 0.537 . . . . 0.0 110.912 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.608 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.7 t90 -95.89 103.02 14.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.112 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' ' 107' ' ' ARG . 59.9 t -112.51 101.44 12.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.994 0.426 . . . . 0.0 110.88 -177.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.529 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 93.5 m -102.65 111.02 23.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.025 0.44 . . . . 0.0 110.513 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.652 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 91.5 m-20 -86.57 109.07 18.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.056 175.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.3 mm -64.88 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.18 0.514 . . . . 0.0 110.328 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -63.74 -27.36 69.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.651 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.589 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 2.3 mp0 -93.31 -20.78 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.437 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 61.21 35.62 18.28 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.563 0.697 . . . . 0.0 109.9 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' A' ' 131' ' ' SER . 94.6 mttt -131.55 133.51 45.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.915 -176.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 117' ' ' ARG . 6.6 mtp180 -102.14 102.22 12.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.341 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -87.91 129.7 35.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.528 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -112.4 114.07 26.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.004 0.43 . . . . 0.0 110.483 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.848 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 86.5 m-85 -111.73 143.08 43.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.387 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.493 ' HB ' HD11 ' A' ' 127' ' ' LEU . 9.5 t -78.77 170.21 17.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 171.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.525 ' HB3' ' HD1' ' A' ' 72' ' ' PHE . 61.4 t80 -65.0 -26.03 68.11 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.199 0.524 . . . . 0.0 110.312 -178.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.432 ' HB3' HG23 ' A' ' 121' ' ' THR . 13.0 t70 -61.74 -17.77 57.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.494 174.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 t30 71.11 77.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.527 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -155.92 144.02 19.86 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.716 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.0 tp -72.1 103.6 3.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.893 -176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.493 HD11 ' HB ' ' A' ' 121' ' ' THR . 37.8 mt -86.45 -41.11 14.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.984 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -154.66 148.48 25.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.859 0.361 . . . . 0.0 110.777 -176.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.7 m -128.06 100.22 5.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.053 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -89.76 92.92 9.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.255 0.55 . . . . 0.0 109.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.578 ' HB3' ' HG2' ' A' ' 116' ' ' LYS . 1.4 p -79.41 119.95 23.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.697 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.0 pt -86.72 62.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.062 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.907 179.83 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.62 ' HB2' HG23 ' A' ' 10' ' ' VAL . 7.7 m-20 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.68 -34.1 61.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.478 . . . . 0.0 110.511 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.421 HG13 HD23 ' A' ' 61' ' ' LEU . 61.1 t -57.78 -41.22 79.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.015 178.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 7' ' ' ASP . 92.3 t -62.62 -47.64 91.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.43 -176.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.556 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.7 mp -56.86 -54.35 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.684 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.401 ' O ' ' HD1' ' A' ' 16' ' ' PHE . 56.9 m-85 -65.2 -42.84 93.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.846 0.355 . . . . 0.0 111.46 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.552 ' HA ' HD13 ' A' ' 61' ' ' LEU . 46.7 tttm -63.53 -39.76 95.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.283 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -65.43 -32.62 74.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.572 0.225 . . . . 0.0 111.217 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 11' ' ' ILE . 73.3 mt -62.67 -55.9 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.249 177.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.518 ' HA ' HG12 ' A' ' 19' ' ' VAL . 78.2 m-85 -65.02 -38.05 89.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.288 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.95 -41.43 97.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.704 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -91.3 -30.53 16.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -66.68 -27.9 41.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 O-C-N 122.127 -0.358 . . . . 0.0 110.994 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 39.1 ptt180 -72.57 -7.72 51.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.818 0.342 . . . . 0.0 111.142 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -115.43 -47.16 2.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.682 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -78.05 -25.56 47.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.39 -174.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD21 ' H ' ' A' ' 93' ' ' PHE . 91.3 mt 66.37 25.38 10.36 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.259 176.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -81.68 84.71 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.093 0.473 . . . . 0.0 109.862 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -74.29 -25.3 59.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.483 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.34 -56.03 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.741 0.305 . . . . 0.0 110.463 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -67.74 -38.19 83.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.472 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.504 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.5 t80 -54.52 -56.94 13.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.474 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -75.1 -20.61 59.39 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -176.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 72.4 m -71.05 -42.53 69.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 0.0 110.284 176.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -67.41 -38.56 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.054 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 54.3 mt -57.92 -46.92 84.26 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -72.66 -14.43 61.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 30' ' ' SER . 54.5 mtm180 -100.12 -3.48 31.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.108 -0.37 . . . . 0.0 111.596 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -130.31 -58.56 1.06 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.112 0.482 . . . . 0.0 110.793 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -86.3 89.52 7.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.291 -176.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.14 -23.31 15.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.662 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 35.4 t -100.79 -89.02 0.35 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.29 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 28.2 p-80 -174.25 158.6 3.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.67 -174.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.624 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 51.9 p90 -125.76 146.05 49.94 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.356 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 41' ' ' ILE . 4.6 mp -111.41 109.99 30.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.803 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.903 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -99.04 108.83 21.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.734 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -80.19 115.95 20.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 108' ' ' TRP . 6.9 mp -72.68 -47.3 48.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -172.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.505 ' HB3' ' HE1' ' A' ' 106' ' ' PHE . . . -81.77 39.68 0.56 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.088 0.471 . . . . 0.0 111.532 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 m -166.15 -36.1 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.363 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 24.9 tt0 65.57 67.06 0.5 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.649 -174.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.595 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 48.5 t-20 -137.28 113.12 9.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.569 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 t -95.45 120.23 44.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.334 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -101.9 97.7 8.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.474 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.32 109.81 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.669 0.271 . . . . 0.0 110.617 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 38' ' ' SER . 34.9 t -94.88 99.37 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 56' ' ' ASP . 86.5 mt -52.45 -51.64 58.2 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.408 -175.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 33.7 ttpt -177.91 -70.08 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -152.54 16.81 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.002 0.906 . . . . 0.0 108.707 170.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.465 ' HB3' HD12 ' A' ' 53' ' ' LEU . 7.4 t70 -80.07 -60.58 2.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.297 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -167.5 166.62 14.17 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.101 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.2 m -107.28 121.66 45.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.698 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 t -96.26 119.93 44.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -105.71 117.16 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.148 0.499 . . . . 0.0 110.331 177.416 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.595 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 25.8 mt -107.14 107.96 19.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.852 -176.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -83.72 115.55 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.46 ' HA3' ' HG2' ' A' ' 47' ' ' GLU . . . -80.69 -123.15 0.53 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.729 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.827 HD12 HD11 ' A' ' 67' ' ' ILE . 86.5 mt -61.91 -80.94 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -176.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -173.13 -59.55 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -173.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -129.01 -89.5 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -169.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.827 HD11 HD12 ' A' ' 64' ' ' LEU . 15.9 mt 61.58 38.25 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.689 0.757 . . . . 0.0 111.133 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.2 t -76.1 94.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.287 0.565 . . . . 0.0 110.043 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 t -130.19 20.98 5.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.277 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.646 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 97.8 t -83.21 129.77 36.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.906 -177.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 21.3 mtmm -76.01 142.51 41.84 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 122' ' ' PHE . 23.0 p90 -76.88 50.8 0.74 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.601 0.715 . . . . 0.0 110.345 176.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -143.69 -169.23 3.03 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.297 -173.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HG2' HD21 ' A' ' 127' ' ' LEU . 25.8 mtmm -134.79 81.92 1.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.468 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 8.7 t0 -96.74 87.61 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.899 -171.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -69.83 -31.8 69.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.0 0.429 . . . . 0.0 110.709 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -61.89 -38.82 89.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.183 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 26.0 tp -70.98 -33.77 70.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.462 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.18 -50.24 81.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.828 0.347 . . . . 0.0 110.194 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -54.68 -49.25 71.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.218 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 p -70.55 -33.38 71.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.977 -175.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.51 HG22 ' CD1' ' A' ' 96' ' ' TYR . 80.3 m -66.59 -47.42 72.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.662 0.268 . . . . 0.0 110.815 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.0 m -64.12 -32.86 74.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.696 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.17 -37.68 75.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.083 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.49 -38.75 81.27 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.816 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.17 -42.3 90.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.44 0.638 . . . . 0.0 110.005 176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -71.82 -27.12 62.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.89 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 t -64.88 -70.65 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.526 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 29.1 ttt180 -102.0 -77.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.401 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 10.9 mt-10 179.5 -46.12 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.572 -171.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.2 pt 43.87 -150.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 124.301 1.0 . . . . 0.0 112.129 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 94' ' ' GLN . 24.7 m -133.0 144.09 49.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.423 ' H ' HD21 ' A' ' 23' ' ' LEU . 68.0 t80 -58.58 -31.59 68.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.031 0.443 . . . . 0.0 110.734 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.4 ' H ' HG22 ' A' ' 92' ' ' THR . 52.0 tt0 -63.37 -39.33 94.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.663 178.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.12 -38.48 61.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.056 0.455 . . . . 0.0 110.056 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.51 ' CD1' HG22 ' A' ' 82' ' ' THR . 56.2 t80 -56.09 -48.63 75.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.323 177.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -28.76 63.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.778 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -63.97 -45.58 88.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.979 0.419 . . . . 0.0 110.942 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -73.71 -29.87 62.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 48.3 mt -63.26 -43.09 98.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.86 0.362 . . . . 0.0 110.253 174.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.646 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -59.96 -42.44 94.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.166 0.507 . . . . 0.0 110.231 176.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 35.9 ttpt -68.96 -12.16 61.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.109 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 75' ' ' ASP . . . -90.48 -8.99 48.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.066 0.46 . . . . 0.0 110.558 176.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.64 1.25 40.1 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.05 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.436 HG22 HD12 ' A' ' 127' ' ' LEU . 61.1 t -71.66 108.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.246 0.546 . . . . 0.0 109.956 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.505 ' HE1' ' HB3' ' A' ' 45' ' ' ALA . 81.5 t80 -105.38 -25.0 12.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.929 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.604 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 15.3 mtp180 -122.1 98.48 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.948 -177.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.903 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.5 t90 -83.58 100.88 11.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.8 t -112.7 101.67 12.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.038 0.447 . . . . 0.0 111.001 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.624 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 37.5 m -98.6 110.85 23.38 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.538 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 6.9 m-20 -89.2 98.59 11.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.955 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 51.1 mm -66.96 -29.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -63.11 -16.4 59.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.236 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.635 ' HB3' ' HE2' ' A' ' 116' ' ' LYS . 47.6 mt-10 -125.68 -4.23 7.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 57.25 36.85 27.87 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.525 0.516 . . . . 0.0 110.815 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.635 ' HE2' ' HB3' ' A' ' 114' ' ' GLU . 48.3 mtmt -134.11 151.68 51.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.59 ' HD2' ' OH ' ' A' ' 119' ' ' TYR . 35.8 ttm180 -113.63 118.7 35.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.896 0.379 . . . . 0.0 110.382 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -97.88 135.76 39.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.677 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.59 ' OH ' ' HD2' ' A' ' 117' ' ' ARG . 77.1 m-85 -111.72 107.33 16.39 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.604 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 80.2 m-85 -109.36 143.86 38.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.602 ' HB ' HD11 ' A' ' 127' ' ' LEU . 8.9 t -90.06 175.24 7.24 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 171.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 72' ' ' PHE . 38.6 p90 -70.07 -15.81 63.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.249 0.547 . . . . 0.0 110.107 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.05 -5.59 51.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.779 175.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 64.11 16.32 9.91 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.214 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -86.94 124.94 33.69 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.21 114.57 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 110.31 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.602 HD11 ' HB ' ' A' ' 121' ' ' THR . 67.3 mt -83.36 -55.17 4.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.326 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -151.4 154.96 37.66 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.716 -175.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 46.6 m -134.14 108.0 8.05 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -107.94 114.87 29.11 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.165 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.6 m -69.7 123.48 21.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.644 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.434 HG12 ' H ' ' A' ' 132' ' ' ILE . 4.6 pt -73.44 92.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.248 0.547 . . . . 0.0 111.653 -175.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 . . . . . 0 N--CA 1.465 0.324 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.832 175.276 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 120.358 0.123 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.665 ' HA ' HD13 ' A' ' 11' ' ' ILE . 17.4 pt20 -68.43 -11.51 59.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 HD23 ' A' ' 61' ' ' LEU . 60.9 t -54.24 -43.05 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.973 173.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.66 -39.87 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.926 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 8' ' ' GLN . 1.9 mp -60.46 -53.87 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.766 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.573 ' HB3' HD11 ' A' ' 61' ' ' LEU . 10.6 m-85 -62.36 -42.37 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.279 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HE2' ' HA2' ' A' ' 63' ' ' GLY . 30.1 tttm -67.67 -37.21 82.06 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.581 -177.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.99 -35.47 66.82 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.816 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.459 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 53.2 mt -61.09 -49.93 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.498 176.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -68.98 -39.73 79.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.382 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.42 -28.74 69.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -72.07 -49.74 33.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.037 0.446 . . . . 0.0 110.402 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.97 -23.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.285 -172.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.576 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 41.0 ptt85 -67.89 -26.58 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.723 -177.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -113.27 -42.64 3.47 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.92 -26.99 30.92 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.199 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt 64.13 29.93 13.93 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.846 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -80.62 76.86 7.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.639 0.733 . . . . 0.0 110.769 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 75.1 m-85 -63.91 -21.73 66.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.919 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -54.95 -49.1 72.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.662 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.459 ' CZ3' ' HA ' ' A' ' 15' ' ' ILE . 38.6 t90 -84.29 -35.84 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.333 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.599 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 45.6 t80 -53.47 -55.91 21.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.505 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -69.34 -27.68 65.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.577 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.5 m -65.16 -45.9 83.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.71 0.29 . . . . 0.0 110.712 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.45 -27.56 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.497 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 82.0 mt -66.25 -39.53 89.55 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -76.22 -15.27 60.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.383 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -97.25 -31.68 12.3 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -113.84 -46.82 3.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -172.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.411 ' O ' ' HB ' ' A' ' 112' ' ' ILE . 2.0 m-20 -84.62 47.43 1.37 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.558 -173.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.4 t -57.27 -24.96 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.064 -173.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.641 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 12.4 t -96.95 -84.29 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.735 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.542 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 7.1 p-80 -172.43 150.77 2.35 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.23 -0.294 . . . . 0.0 111.116 -177.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.628 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 38.1 p90 -123.72 138.44 54.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.016 0.436 . . . . 0.0 110.507 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 41' ' ' ILE . 4.2 mp -106.75 116.28 50.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.222 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.829 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -102.81 115.03 29.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.052 -177.832 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -95.19 105.2 17.11 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 108' ' ' TRP . 7.1 mp -66.07 -26.25 67.4 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.99 -13.94 58.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.064 0.459 . . . . 0.0 111.847 -175.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 m -123.85 -19.19 5.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.353 0.596 . . . . 0.0 110.766 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 26.6 tt0 63.79 28.99 14.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.878 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -94.65 131.03 40.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 171.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.6 t -112.36 114.4 46.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.157 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -92.66 95.85 9.83 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.701 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.455 HD13 ' HG ' ' A' ' 61' ' ' LEU . 3.5 mp -86.72 104.86 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.006 0.431 . . . . 0.0 110.054 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 38' ' ' SER . 61.2 t -83.38 116.52 27.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 174.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 56' ' ' ASP . 84.0 mt -70.23 178.83 2.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.888 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -42.09 -55.91 3.04 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.036 0.835 . . . . 0.0 111.992 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -156.48 21.95 0.35 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.107 0.956 . . . . 0.0 108.51 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' A' ' 53' ' ' LEU . 5.8 m-20 -92.03 -88.0 0.21 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.513 -171.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -154.9 -168.97 3.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.768 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.9 m -110.93 114.49 27.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.05 0.452 . . . . 0.0 111.455 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.27 107.2 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.35 114.65 27.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.127 0.489 . . . . 0.0 111.59 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 12' ' ' PHE . 44.9 mt -87.88 116.68 26.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.396 174.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -87.55 113.02 22.86 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA2' ' HE2' ' A' ' 13' ' ' LYS . . . -74.32 -95.77 0.11 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.434 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.511 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 91.9 mt -100.19 -89.97 0.32 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 84.4 tttt 173.24 -64.79 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.312 0.382 . . . . 0.0 111.434 175.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.455 ' C ' HD12 ' A' ' 67' ' ' ILE . 3.7 t-20 -121.43 89.67 3.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.455 HD12 ' C ' ' A' ' 66' ' ' ASN . 4.2 mp -134.15 91.58 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.373 0.606 . . . . 0.0 109.588 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.7 t -95.73 82.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.296 0.569 . . . . 0.0 110.698 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.2 m -108.63 5.09 24.63 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 40.0 t -91.61 120.29 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.25 -178.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -76.97 155.12 32.9 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.504 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -88.97 11.11 19.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.599 0.714 . . . . 0.0 110.243 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.1 m -91.03 -173.78 3.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.559 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.563 ' HB2' HD21 ' A' ' 127' ' ' LEU . 24.8 pttm -150.21 128.18 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.05 0.452 . . . . 0.0 111.05 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -138.32 142.57 39.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.249 172.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -100.42 -14.13 18.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.15 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -75.8 -49.99 16.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.168 -176.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.75 -39.28 88.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.83 -48.28 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.031 0.444 . . . . 0.0 110.439 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.67 -50.59 73.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.467 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -62.01 -46.05 90.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.511 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.526 HG22 ' HD1' ' A' ' 96' ' ' TYR . 40.4 m -63.25 -39.71 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.417 -177.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -67.73 -43.1 80.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.921 0.391 . . . . 0.0 111.142 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -64.76 -48.36 74.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.151 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -63.26 -32.19 73.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.211 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 46.9 tp -56.73 -51.35 69.18 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.202 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 87' ' ' LYS . 24.3 tptp -81.82 -19.52 40.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.115 -176.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.2 m -72.67 -57.89 3.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -91.75 -19.12 22.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.415 . . . . 0.0 110.525 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 22.9 mt-10 57.55 62.05 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.333 -174.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.4 pt -78.58 169.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.31 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -65.03 156.2 32.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.37 0.605 . . . . 0.0 111.849 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.576 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 26.5 t80 -63.57 -23.97 67.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.142 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.24 -43.27 78.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.831 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.8 -42.33 99.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 110.253 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.526 ' HD1' HG22 ' A' ' 82' ' ' THR . 41.6 t80 -60.29 -45.87 91.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.101 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -62.13 -48.87 78.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.693 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -61.7 -40.34 94.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.587 -172.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.7 -35.38 75.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.646 0.26 . . . . 0.0 110.836 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.478 HD22 HG21 ' A' ' 105' ' ' VAL . 71.8 mt -63.27 -41.74 99.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.032 0.444 . . . . 0.0 110.417 175.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.524 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -60.11 -39.74 87.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.839 178.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -69.77 -25.77 63.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.095 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.21 -19.2 43.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.73 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.29 16.7 11.75 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.939 177.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.478 HG21 HD22 ' A' ' 100' ' ' LEU . 66.6 t -76.32 100.51 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.106 0.479 . . . . 0.0 109.944 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -94.21 -31.31 14.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.75 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.474 ' HG2' HG23 ' A' ' 109' ' ' VAL . 33.0 ttp-105 -128.49 108.5 10.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.471 0.653 . . . . 0.0 110.998 -177.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.829 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.5 t90 -97.44 103.51 15.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.23 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.474 HG23 ' HG2' ' A' ' 107' ' ' ARG . 41.2 t -110.94 94.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.01 0.433 . . . . 0.0 111.189 -175.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.773 HG23 ' HG2' ' A' ' 117' ' ' ARG . 93.8 m -86.92 108.32 18.75 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.542 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 41.8 t-20 -99.34 93.86 6.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.718 -176.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.411 ' HB ' ' O ' ' A' ' 36' ' ' ASN . 50.9 mm -64.95 -34.77 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.21 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.641 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 52.3 t-80 -62.3 -26.27 68.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.968 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -109.97 -4.01 16.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.773 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 63.21 37.2 11.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.458 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.413 ' HD2' ' CZ ' ' A' ' 118' ' ' TYR . 76.6 mttt -136.96 158.52 44.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.771 0.319 . . . . 0.0 110.856 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.773 ' HG2' HG23 ' A' ' 110' ' ' THR . 56.3 mtp180 -123.08 102.35 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 172.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.453 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 76.3 m-85 -86.36 137.83 32.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.495 -174.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.423 ' HD2' ' HB3' ' A' ' 128' ' ' PHE . 96.5 m-85 -119.67 109.93 16.23 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.518 176.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.538 ' HB3' ' HA ' ' A' ' 124' ' ' ASN . 97.1 m-85 -111.91 144.54 41.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.492 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.452 HG23 ' H ' ' A' ' 123' ' ' ASP . 9.0 t -89.17 -176.98 5.3 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -56.68 -32.62 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.882 0.373 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.452 ' H ' HG23 ' A' ' 121' ' ' THR . 20.7 t70 -97.52 20.08 12.34 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.494 0.664 . . . . 0.0 110.011 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.538 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 25.5 m-20 73.28 -77.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.537 1.135 . . . . 0.0 109.507 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t 60.95 -42.33 0.11 Allowed 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 125.401 1.481 . . . . 0.0 114.031 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.1 tp 63.86 81.67 0.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.422 0.63 . . . . 0.0 109.381 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 74' ' ' LYS . 95.9 mt -86.43 -33.95 20.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.002 -175.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.423 ' HB3' ' HD2' ' A' ' 119' ' ' TYR . 0.4 OUTLIER -152.87 154.53 35.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.852 -177.413 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 4.5 t -162.87 99.11 0.98 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.643 0.735 . . . . 0.0 110.061 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -89.94 127.34 36.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.968 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.9 t -91.04 119.51 31.26 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.2 pt -79.54 98.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.591 0.71 . . . . 0.0 110.577 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.774 -176.424 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.581 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 8.7 t0 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.325 0.583 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -64.88 -29.43 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.989 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.581 ' HB ' ' OD2' ' A' ' 7' ' ' ASP . 66.0 t -63.35 -34.72 68.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.101 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 98.3 t -58.03 -50.52 77.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.64 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.532 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -58.44 -52.64 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 -177.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.474 ' HA ' HD12 ' A' ' 15' ' ' ILE . 55.2 m-85 -61.57 -41.21 97.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.758 0.313 . . . . 0.0 111.248 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HA ' HD13 ' A' ' 61' ' ' LEU . 37.4 ttpt -63.89 -40.92 97.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.568 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 10' ' ' VAL . 98.0 mt-30 -60.28 -37.57 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.661 0.267 . . . . 0.0 110.826 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 11' ' ' ILE . 82.8 mt -59.04 -58.48 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.681 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.52 ' HA ' HG12 ' A' ' 19' ' ' VAL . 94.6 m-85 -70.23 -32.64 70.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.623 -175.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.49 -45.4 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.058 0.456 . . . . 0.0 110.365 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -72.94 -39.86 65.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.448 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 16' ' ' PHE . 10.8 p -66.55 -27.34 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 122.061 -0.399 . . . . 0.0 110.85 -178.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' HG3' ' HD2' ' A' ' 93' ' ' PHE . 54.5 ttp180 -75.98 -10.79 59.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.1 0.476 . . . . 0.0 110.495 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -113.23 -53.0 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.482 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 19.8 t70 -75.98 -23.39 55.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.872 -176.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt 62.3 34.6 15.75 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.774 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.482 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 51.4 t-20 -88.3 98.34 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.757 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.415 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 97.1 m-85 -89.76 -24.63 21.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -58.15 -50.57 73.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.377 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -74.83 -37.48 62.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.335 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.507 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.9 t80 -50.45 -61.53 2.13 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.144 -175.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -67.94 -29.94 69.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.622 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.508 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 22.3 m -73.09 -37.36 66.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.852 0.358 . . . . 0.0 110.559 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' CD ' HH21 ' A' ' 34' ' ' ARG . 8.3 tp10 -67.92 -41.59 82.4 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.408 0.623 . . . . 0.0 109.758 176.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 93.9 mt -58.05 -42.02 84.54 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.282 175.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -61.92 -28.58 69.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.926 0.393 . . . . 0.0 111.342 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 30' ' ' SER . 52.5 mtm180 -80.19 -22.4 41.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.484 -177.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -121.41 -55.07 1.96 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.005 0.431 . . . . 0.0 111.7 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.04 79.84 5.41 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.325 -176.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 113' ' ' HIS . 42.3 t -65.59 -29.59 47.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.86 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 t -106.9 -87.2 0.48 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.409 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -162.07 155.09 20.34 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.426 -0.509 . . . . 0.0 112.127 -171.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.738 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 41.3 p90 -125.75 144.04 50.79 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 172.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.414 HG23 HG22 ' A' ' 109' ' ' VAL . 4.5 mp -107.95 109.36 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.988 0.423 . . . . 0.0 110.149 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.79 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 13.1 t80 -94.88 111.53 23.32 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 176.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -85.83 116.02 23.83 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.569 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.46 161.43 29.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 74.36 -22.54 0.25 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.708 0.63 . . . . 0.0 112.08 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.1 p -116.73 -23.53 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 66.87 24.09 9.82 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.924 0.393 . . . . 0.0 110.748 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -94.97 113.08 24.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.893 0.378 . . . . 0.0 110.165 179.334 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.92 121.38 54.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.53 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -108.53 102.26 11.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.854 0.359 . . . . 0.0 110.279 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.5 mp -92.18 109.54 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.714 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.02 109.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 57' ' ' ASN . 36.8 mt -54.61 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.526 0.516 . . . . 0.0 111.241 -174.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 55' ' ' ASN . 85.7 tttt -121.03 -32.81 3.86 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 63.3 t30 155.18 -19.38 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.115 -1.402 . . . . 0.0 107.455 -174.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -71.24 -50.09 36.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.268 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.537 ' HB3' HD12 ' A' ' 53' ' ' LEU . 52.5 t30 -123.73 150.96 43.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.964 0.411 . . . . 0.0 111.202 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 51.3 m -139.11 114.08 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.368 177.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.454 HG13 HG22 ' A' ' 9' ' ' VAL . 19.4 t -105.1 126.05 60.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.8 pt? -110.96 121.96 46.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.05 0.452 . . . . 0.0 111.066 -178.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 13' ' ' LYS . 10.4 mt -102.37 105.73 16.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.019 177.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -90.42 110.74 21.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.879 0.371 . . . . 0.0 110.209 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.55 -133.95 4.69 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.942 -0.646 . . . . 0.0 113.704 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.2 -23.89 64.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.6 tttm 73.89 -36.11 0.33 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.829 0.852 . . . . 0.0 111.764 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -124.71 93.28 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.039 0.447 . . . . 0.0 110.637 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 67' ' ' ILE . 9.0 tp -139.95 19.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.169 0.985 . . . . 0.0 108.348 175.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.9 p -54.11 112.52 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.339 -173.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -134.32 13.04 3.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.057 174.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' A' ' 101' ' ' ALA . 8.3 t -89.83 135.56 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.542 -174.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -115.43 153.88 30.27 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.522 ' HD1' ' HE1' ' A' ' 122' ' ' PHE . 55.8 t80 -69.8 88.82 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.379 0.609 . . . . 0.0 110.28 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 m -125.29 156.91 37.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.489 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -132.99 87.82 2.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -136.08 113.85 11.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.012 0.434 . . . . 0.0 110.492 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HG3' ' HD1' ' A' ' 128' ' ' PHE . 20.3 ttt180 -81.37 -27.21 34.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.946 -178.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -68.02 -44.61 76.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.113 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.515 HD23 ' HB2' ' A' ' 103' ' ' ALA . 44.2 tp -59.83 -41.25 90.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.488 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.3 mt -60.0 -48.89 86.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -53.63 -48.27 69.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.413 0.625 . . . . 0.0 110.536 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 85' ' ' LYS . 20.8 m -65.02 -30.75 71.75 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.992 -177.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.2 m -72.8 -45.36 58.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.544 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -58.97 -42.9 91.05 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.016 0.436 . . . . 0.0 110.265 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.23 -42.84 93.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.406 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 81' ' ' THR . 35.3 ttmt -59.47 -37.92 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.129 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 96' ' ' TYR . 55.7 tp -67.31 -51.1 56.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.096 0.474 . . . . 0.0 110.719 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.75 -33.89 76.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.521 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -93.86 -58.7 2.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -84.48 -17.89 37.62 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -170.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 63.12 63.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.47 0.652 . . . . 0.0 110.486 -175.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.453 HG12 ' HA ' ' A' ' 86' ' ' LEU . 35.2 pt -79.69 145.76 8.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.15 171.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -63.97 148.95 48.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.577 0.227 . . . . 0.0 110.845 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.483 ' HD2' ' HG3' ' A' ' 20' ' ' ARG . 47.9 t80 -55.82 -32.81 63.88 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.97 0.414 . . . . 0.0 111.337 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.449 ' HA ' HH21 ' A' ' 97' ' ' ARG . 63.8 tt0 -59.56 -50.56 73.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.608 174.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.25 -34.54 78.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.663 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.477 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 52.0 t80 -59.03 -48.84 80.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.433 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.449 HH21 ' HA ' ' A' ' 94' ' ' GLN . 66.2 mtm180 -69.75 -29.46 66.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.385 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -41.06 95.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.391 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -38.04 75.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.381 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.32 -37.65 87.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HA ' HG13 ' A' ' 70' ' ' VAL . . . -60.58 -36.3 78.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.637 176.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -70.06 -29.57 66.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.415 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.515 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -81.46 -11.34 59.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.505 -178.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 97.14 20.72 22.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.888 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.9 t -86.1 121.02 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.018 0.437 . . . . 0.0 111.169 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -110.43 -26.28 9.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.875 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.858 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 9.4 mpt_? -109.75 110.98 22.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.321 -178.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.79 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 7.4 t-105 -96.31 90.39 5.43 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 169.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.571 ' HB ' ' HB2' ' A' ' 118' ' ' TYR . 46.9 t -106.47 99.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.063 0.458 . . . . 0.0 110.375 -176.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.738 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 52.1 m -95.54 110.7 22.74 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -102.66 111.86 24.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.513 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 47.3 mm -76.73 -33.7 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.386 -175.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 59.3 t-80 -62.14 -44.94 95.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.194 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -85.89 -11.78 52.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.915 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 58.4 44.88 17.57 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.487 0.492 . . . . 0.0 110.3 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -140.32 139.65 35.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.218 -175.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.576 ' HG2' HG23 ' A' ' 110' ' ' THR . 68.4 mtm180 -105.34 110.16 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.617 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.571 ' HB2' ' HB ' ' A' ' 109' ' ' VAL . 70.1 m-85 -92.45 129.07 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.671 -176.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.402 ' HE2' ' HG2' ' A' ' 130' ' ' GLU . 77.6 m-85 -110.59 105.33 14.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.214 176.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.858 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 74.0 m-85 -106.27 150.52 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.365 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.452 HG23 ' H ' ' A' ' 123' ' ' ASP . 10.2 t -88.05 -178.73 6.05 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.522 ' HE1' ' HD1' ' A' ' 72' ' ' PHE . 34.5 p90 -67.57 -19.64 65.29 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.24 0.543 . . . . 0.0 110.684 -176.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' ' 124' ' ' ASN . 12.1 t70 -71.87 -18.08 62.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.975 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 123' ' ' ASP . 89.1 m-20 76.95 15.46 1.91 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.782 -174.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 49.5 m -71.33 131.66 43.75 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.319 171.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 53.9 tp -77.22 105.76 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 110.151 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.1 mt -81.58 -44.55 17.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.373 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.436 ' HD1' ' HG3' ' A' ' 76' ' ' ARG . 33.8 t80 -151.38 143.77 24.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.9 t -138.2 111.26 7.83 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 128' ' ' PHE . 7.3 pt-20 -106.89 129.02 54.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 -177.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 m -80.67 113.77 19.1 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.8 pt -63.82 114.96 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.556 0.693 . . . . 0.0 111.0 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.425 ' OE1' ' HA ' ' A' ' 133' ' ' GLN . 8.8 mm-40 . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.126 -176.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.151 0.501 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.469 ' HA ' HD13 ' A' ' 11' ' ' ILE . 5.2 tp-100 -65.0 -26.44 68.29 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.371 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.444 HG13 HD23 ' A' ' 61' ' ' LEU . 79.1 t -59.18 -36.64 64.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.873 0.368 . . . . 0.0 110.481 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.91 -36.74 77.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.602 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.485 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.0 mp -67.87 -55.46 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.785 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.479 ' HB3' HD11 ' A' ' 61' ' ' LEU . 43.5 m-85 -67.85 -40.46 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HA ' HD13 ' A' ' 61' ' ' LEU . 54.5 tttm -64.23 -38.3 90.55 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.129 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 50.6 tt0 -62.82 -31.58 72.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.465 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 11' ' ' ILE . 66.9 mt -65.95 -55.94 17.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.754 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.625 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 69.5 m-85 -64.24 -45.38 88.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.151 -178.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.659 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -63.1 -26.46 68.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 111.296 179.572 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 21.3 ttmm -71.45 -49.46 41.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.883 0.373 . . . . 0.0 110.594 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 16' ' ' PHE . 9.6 p -67.13 -20.89 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.37 -174.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.659 ' HE ' ' HA ' ' A' ' 17' ' ' ASP . 81.0 mtt-85 -58.12 -34.23 70.0 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.935 0.398 . . . . 0.0 110.887 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -116.32 -38.77 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.588 -173.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.499 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 25.5 t70 -82.55 -28.82 30.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.278 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.7 mt 61.16 32.2 19.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.794 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.499 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 54.2 t-20 -80.61 90.42 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 174.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -78.08 -27.01 48.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.635 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.35 -55.1 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.373 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -70.01 -32.1 70.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.064 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.447 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 75.3 t80 -59.01 -54.08 51.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.617 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -67.02 -35.28 79.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.057 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 22.6 t -61.02 -44.95 96.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.751 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -73.01 -33.66 65.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 77.6 mt -62.22 -44.51 96.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 175.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -72.0 -20.3 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.201 -176.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 30' ' ' SER . 46.7 mtm180 -100.37 -8.53 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -131.4 -52.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.49 ' ND2' ' HD2' ' A' ' 40' ' ' TYR . 39.2 t30 -85.78 87.08 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.354 0.597 . . . . 0.0 109.992 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -74.76 -32.33 28.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.565 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.6 p -101.25 -83.26 0.45 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.128 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -164.77 152.16 11.4 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 122.048 -0.407 . . . . 0.0 111.622 -170.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.707 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 42.7 p90 -128.72 147.27 50.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.111 175.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.78 113.1 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.09 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.794 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.3 OUTLIER -99.82 109.59 21.99 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.01 -178.518 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -86.52 104.11 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 108' ' ' TRP . 5.8 mp -63.87 -38.35 90.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.08 -173.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.776 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -68.06 -44.11 77.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 p -97.32 -5.52 36.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -175.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' HB3' ' H ' ' A' ' 64' ' ' LEU . 13.8 tp10 61.92 43.06 9.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.04 0.924 . . . . 0.0 109.378 -176.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -110.07 111.76 23.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.518 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -105.69 115.61 47.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.254 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -103.48 99.26 9.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.603 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.14 108.64 20.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.81 0.338 . . . . 0.0 111.048 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.71 109.24 20.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.86 -75.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.244 0.545 . . . . 0.0 111.584 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -146.66 -70.89 0.24 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -145.11 10.02 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.801 174.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.85 -73.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.5 -175.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -157.69 178.02 10.73 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.973 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.0 m -113.99 111.97 22.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.226 175.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.16 109.91 17.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.753 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.5 pt? -98.26 111.51 23.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.334 0.587 . . . . 0.0 111.072 -178.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 13' ' ' LYS . 19.4 mt -98.88 106.12 18.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.51 178.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -102.98 98.82 8.72 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.34 0.591 . . . . 0.0 110.663 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.0 -48.56 6.46 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.847 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.457 ' H ' ' HB3' ' A' ' 47' ' ' GLU . 13.4 tp 56.38 28.96 14.32 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.2 0.6 . . . . 0.0 111.993 177.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -90.7 94.2 9.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.72 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 t30 70.45 100.13 0.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.001 0.813 . . . . 0.0 111.023 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 3.3 mp -73.51 119.35 20.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.203 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.776 HG12 ' HA ' ' A' ' 45' ' ' ALA . 8.3 p -85.41 152.56 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.017 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -93.01 108.49 20.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.052 0.453 . . . . 0.0 111.08 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 106' ' ' PHE . 62.0 t -87.59 114.58 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 174.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -95.69 157.72 15.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.487 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -83.19 65.17 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.417 0.627 . . . . 0.0 109.893 174.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.1 m -144.08 91.92 2.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.013 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 103' ' ' ALA . 56.2 pttt -91.9 125.57 36.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.215 -170.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -146.7 130.85 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.71 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -79.24 -28.65 42.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.224 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -68.34 -37.04 80.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.295 -173.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.54 HD23 ' HB2' ' A' ' 103' ' ' ALA . 43.2 tp -62.21 -48.84 78.23 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.72 -47.68 85.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.326 0.584 . . . . 0.0 110.172 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.34 -54.8 41.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.948 178.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.5 m -61.07 -39.48 90.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.5 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.562 HG21 ' HB2' ' A' ' 99' ' ' ASN . 26.1 m -67.72 -34.31 76.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.735 0.303 . . . . 0.0 110.923 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.6 m -67.32 -39.4 85.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.45 . . . . 0.0 110.079 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -67.72 -37.48 82.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.332 175.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -62.56 -44.09 97.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.959 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.558 ' HA ' HG12 ' A' ' 91' ' ' ILE . 47.0 tp -64.25 -44.58 91.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.774 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -68.08 -48.0 66.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.46 -177.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.3 m -79.41 -46.49 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -173.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -100.4 -7.37 24.43 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.679 -172.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 73.4 -46.2 0.63 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.455 0.702 . . . . 0.0 111.429 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.558 HG12 ' HA ' ' A' ' 86' ' ' LEU . 36.0 pt 39.39 -131.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.124 0.97 . . . . 0.0 112.483 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.1 m -145.39 151.12 37.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 47.0 t80 -56.9 -31.63 65.09 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.799 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 2.4 mp0 -59.47 -52.61 64.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.182 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -56.17 -44.02 78.92 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.321 0.388 . . . . 0.0 111.501 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.485 ' HD1' HG22 ' A' ' 82' ' ' THR . 37.5 t80 -56.71 -42.34 78.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.407 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.418 ' HD3' ' CE2' ' A' ' 93' ' ' PHE . 49.4 mtm180 -77.0 -34.84 57.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.576 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 17.5 mmt85 -59.47 -43.16 93.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.213 0.53 . . . . 0.0 110.557 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.562 ' HB2' HG21 ' A' ' 82' ' ' THR . 6.9 m-20 -72.77 -35.39 67.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.205 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.38 -47.19 83.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.329 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.78 71.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.215 0.531 . . . . 0.0 110.427 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -71.61 -21.07 61.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.484 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.54 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -96.26 0.71 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 121' ' ' THR . . . 100.34 6.5 53.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.287 176.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.3 t -78.36 104.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.491 . . . . 0.0 110.506 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.54 ' HB2' HG11 ' A' ' 70' ' ' VAL . 87.5 t80 -104.18 -30.35 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.725 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 70.6 mtp85 -116.48 99.11 6.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.153 -178.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.794 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.4 t90 -91.78 94.34 9.3 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 175.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 41.6 t -103.58 100.38 10.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.823 0.344 . . . . 0.0 110.57 -178.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.707 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 36.8 m -90.76 118.34 30.1 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -101.82 104.13 14.87 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.114 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.5 mm -70.97 -32.5 48.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.354 -176.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.15 -33.82 75.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.048 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -94.95 -15.05 23.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.62 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.544 ' HG3' HG13 ' A' ' 132' ' ' ILE . 3.9 tp60 68.69 31.81 4.43 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.518 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -136.2 147.72 47.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.165 0.507 . . . . 0.0 111.803 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -95.56 135.17 37.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -116.67 110.96 19.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.834 0.349 . . . . 0.0 110.314 176.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -93.94 106.15 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.725 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 97.7 m-85 -101.68 138.54 38.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.237 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.564 ' HB ' HD11 ' A' ' 127' ' ' LEU . 1.6 t -69.83 172.24 7.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.121 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.95 -34.85 73.81 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.54 10.03 8.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.021 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 65.4 t30 61.6 85.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.796 0.838 . . . . 0.0 111.76 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 120' ' ' TYR . 22.9 t -157.36 142.12 16.71 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.496 HD11 ' HB ' ' A' ' 129' ' ' THR . 48.2 tp -72.38 99.31 2.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.992 0.425 . . . . 0.0 111.085 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.564 HD11 ' HB ' ' A' ' 121' ' ' THR . 33.9 mt -78.43 -45.92 21.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.344 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -149.4 141.13 23.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.056 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.496 ' HB ' HD11 ' A' ' 126' ' ' LEU . 15.3 t -135.0 142.59 46.47 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -141.8 142.33 33.2 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 m -92.32 125.27 36.91 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.328 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.544 HG13 ' HG3' ' A' ' 115' ' ' GLN . 12.5 pt -75.01 98.89 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.134 0.492 . . . . 0.0 110.428 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.058 -175.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.834 0.35 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.02 -27.15 68.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.03 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.17 -40.28 76.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.309 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.73 -41.85 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.186 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.8 mp -64.58 -49.28 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.587 178.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.412 ' CZ ' HD21 ' A' ' 53' ' ' LEU . 7.0 m-85 -64.58 -41.61 96.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.62 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 7.7 ttpp -71.04 -18.57 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.109 -0.637 . . . . 0.0 109.8 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -76.57 -39.47 52.58 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.735 ' HA ' ' HZ2' ' A' ' 27' ' ' TRP . 88.6 mt -58.77 -55.67 21.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.672 176.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -64.72 -30.18 71.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.195 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.62 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 5.6 t70 -74.26 -39.99 62.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.819 0.342 . . . . 0.0 110.376 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -50.28 72.09 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.244 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.49 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 13.0 p -74.43 -25.48 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -63.09 -41.59 99.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.586 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -102.37 -26.78 13.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -94.87 -25.44 16.59 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.811 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD11 ' HA ' ' A' ' 92' ' ' THR . 53.2 mt 66.51 27.67 9.66 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.419 0.628 . . . . 0.0 111.085 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.49 ' OD1' ' HA ' ' A' ' 19' ' ' VAL . 16.8 p-10 -86.29 64.56 8.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.336 177.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -58.63 -24.43 61.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.258 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -40.82 77.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.415 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.735 ' HZ2' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -71.72 -35.49 70.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.367 0.603 . . . . 0.0 110.082 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -75.85 -43.54 45.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.046 -163.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -67.86 -31.17 70.8 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.255 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.528 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 20.4 t -76.82 -38.94 52.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -56.94 -52.17 66.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.652 176.231 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.88 -47.35 80.69 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.163 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 37' ' ' VAL . 78.7 tttt -60.85 -24.51 65.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 0.0 111.468 -174.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 30' ' ' SER . 75.9 mtp180 -75.08 -47.08 30.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.246 0.546 . . . . 0.0 110.848 177.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' HB3' ' HZ ' ' A' ' 12' ' ' PHE . 44.8 m80 -100.77 -64.1 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.256 -173.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -87.22 80.19 8.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.327 0.584 . . . . 0.0 110.456 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.477 HG21 ' HD3' ' A' ' 54' ' ' LYS . 5.9 t -85.41 -1.57 7.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.999 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.527 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 14.5 t -103.11 -81.7 0.5 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -176.52 146.08 0.59 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.507 0.194 . . . . 0.0 110.848 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.61 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 27.1 p90 -118.83 134.19 55.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 172.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.533 HG23 HG22 ' A' ' 109' ' ' VAL . 55.6 mt -102.4 106.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.765 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.616 ' HB3' ' CD1' ' A' ' 108' ' ' TRP . 0.4 OUTLIER -95.82 118.86 33.27 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.817 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -92.94 104.89 17.08 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.578 ' CD2' ' HG3' ' A' ' 97' ' ' ARG . 9.7 mt -57.49 -47.32 82.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -173.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.58 ' HB3' ' HE1' ' A' ' 106' ' ' PHE . . . -72.18 -32.98 67.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.443 HG22 HD22 ' A' ' 48' ' ' ASN . 3.7 m -87.71 -15.51 36.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.839 0.352 . . . . 0.0 111.559 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 61.62 19.76 10.71 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.612 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.443 HD22 HG22 ' A' ' 46' ' ' THR . 9.8 m-80 -109.88 133.07 53.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.479 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.3 t -113.91 121.85 66.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.324 -176.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -102.52 99.34 9.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.809 0.338 . . . . 0.0 110.092 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.563 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.7 mp -93.82 101.81 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.083 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 38' ' ' SER . 22.6 t -88.95 107.05 17.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 60.9 mt -74.0 166.4 23.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.928 -177.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HD3' HG21 ' A' ' 37' ' ' VAL . 24.7 pttm -64.14 -22.44 66.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.047 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.47 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 66.4 t30 -93.22 22.94 4.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.262 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 9.7 t70 76.47 -36.75 0.27 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.66 174.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -55.21 126.81 26.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.035 0.445 . . . . 0.0 110.94 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 32.2 m -106.22 122.05 45.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.759 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.8 t -94.17 132.99 36.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.645 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 58.5 tp -112.75 109.27 18.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.761 0.315 . . . . 0.0 110.795 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.486 HD22 ' HB2' ' A' ' 13' ' ' LYS . 25.5 mt -98.75 158.18 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.508 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.37 126.03 44.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.876 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.78 -84.62 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.919 173.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.0 mt -123.59 -60.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.766 -0.255 . . . . 0.0 111.088 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 66' ' ' ASN . 21.8 pttm -161.2 -53.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.555 0.217 . . . . 0.0 111.504 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.471 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 7.7 t30 168.53 131.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -174.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 67' ' ' ILE . 9.4 tp -133.15 96.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 122.201 1.001 . . . . 0.0 110.601 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 p -85.71 28.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.764 0.792 . . . . 0.0 111.207 -174.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 m -81.61 -7.25 59.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.726 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.45 HG22 ' HB1' ' A' ' 101' ' ' ALA . 73.3 t -70.16 117.69 13.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.031 177.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.551 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 75.3 mmtt -91.87 158.55 16.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.506 -176.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -80.63 75.41 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.5 m -119.07 174.92 6.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.387 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -139.71 35.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.659 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 79' ' ' ILE . 2.6 m-20 -76.41 77.89 3.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.698 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -65.26 -32.87 74.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.627 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -66.07 -32.83 74.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.439 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.6 tp -72.02 -37.08 69.84 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 75' ' ' ASP . 67.6 mt -60.15 -48.24 88.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.997 174.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -55.2 -49.94 70.66 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.663 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.6 m -60.23 -40.92 91.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.06 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.427 HG21 ' HG ' ' A' ' 100' ' ' LEU . 52.4 m -65.2 -48.65 72.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.5 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.402 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 10.6 t -63.91 -41.82 97.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.077 0.465 . . . . 0.0 110.191 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -64.89 -39.14 93.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HG2' HG21 ' A' ' 91' ' ' ILE . 35.0 ttpt -64.81 -36.74 85.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.687 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' ' 91' ' ' ILE . 56.9 tp -68.73 -48.18 64.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.987 0.422 . . . . 0.0 109.967 175.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -57.28 -32.69 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.461 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -92.78 -58.44 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.199 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -97.72 -2.4 41.33 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -168.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 56.77 51.3 11.1 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.668 0.27 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.569 HG12 ' HA ' ' A' ' 86' ' ' LEU . 36.4 pt -67.17 155.82 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 -177.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.569 ' HA ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -61.93 157.39 18.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.124 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -60.53 -28.67 68.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.349 0.595 . . . . 0.0 109.49 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -59.37 -55.38 35.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.573 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.58 -43.77 89.56 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.2 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.402 ' HE1' ' HA ' ' A' ' 83' ' ' SER . 38.0 t80 -60.11 -56.76 17.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.789 -178.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.578 ' HG3' ' CD2' ' A' ' 44' ' ' LEU . 33.2 ttt180 -64.55 -37.49 87.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.907 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 98' ' ' ARG . 23.5 ttt180 -60.33 -49.33 78.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.813 0.34 . . . . 0.0 111.794 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -69.48 -32.1 70.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.993 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.427 ' HG ' HG21 ' A' ' 82' ' ' THR . 96.0 mt -67.51 -38.53 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.936 0.398 . . . . 0.0 110.594 177.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.45 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -61.94 -39.89 93.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.017 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -70.65 -25.16 62.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.786 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . . . -70.41 -13.81 62.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.48 -177.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 101.56 10.0 42.29 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.395 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.9 t -80.05 116.74 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.925 0.393 . . . . 0.0 110.098 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.58 ' HE1' ' HB3' ' A' ' 45' ' ' ALA . 86.0 t80 -100.89 -31.43 11.15 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.833 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 98.1 mtt180 -119.43 102.77 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.664 ' H ' ' HD1' ' A' ' 108' ' ' TRP . 0.1 OUTLIER -104.53 101.73 11.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.28 1.038 . . . . 0.0 108.573 168.249 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.533 HG22 HG23 ' A' ' 41' ' ' ILE . 22.4 t -109.67 114.51 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.014 -1.448 . . . . 0.0 110.156 -172.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.61 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 17.6 m -96.54 104.09 16.04 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.09 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.425 ' OD1' HG12 ' A' ' 109' ' ' VAL . 3.9 m-20 -91.73 106.12 18.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.269 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.95 -35.26 68.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.527 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 51.4 t-80 -63.42 -33.72 76.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.079 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.01 -9.06 23.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 62.4 29.91 17.26 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.926 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -139.13 144.16 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.96 0.409 . . . . 0.0 111.384 -176.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.527 ' HB3' ' HB3' ' A' ' 130' ' ' GLU . 24.8 ttm-85 -101.74 112.94 25.7 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 80.4 m-85 -91.83 123.15 34.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.489 ' CZ ' ' HD2' ' A' ' 117' ' ' ARG . 95.1 m-85 -102.38 104.62 15.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.938 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.833 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 94.6 m-85 -106.33 141.12 38.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.402 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.577 ' HB ' HD11 ' A' ' 127' ' ' LEU . 15.0 t -79.11 179.38 7.4 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.79 -37.75 82.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.934 0.397 . . . . 0.0 110.78 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -87.56 42.09 1.02 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 49.84 21.94 0.77 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.692 1.197 . . . . 0.0 113.56 172.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.446 ' HB2' HG22 ' A' ' 121' ' ' THR . 16.0 m -95.25 132.4 40.26 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 122.199 -0.313 . . . . 0.0 110.576 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 66.0 tp -72.96 113.97 10.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.34 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.577 HD11 ' HB ' ' A' ' 121' ' ' THR . 91.1 mt -91.03 -61.3 1.7 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.144 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -133.52 148.0 51.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.85 0.357 . . . . 0.0 110.715 -174.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 21.7 m -123.55 109.83 14.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.69 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 117' ' ' ARG . 33.8 tt0 -99.4 105.65 17.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.29 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.2 m -78.98 108.49 12.5 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.528 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.5 pt -80.01 81.59 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.522 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.954 -177.735 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.035 0.445 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.448 ' OE1' HG22 ' A' ' 59' ' ' VAL . 36.8 tt0 -51.99 -33.11 36.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.665 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.9 -39.57 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.49 ' HA ' ' HG2' ' A' ' 13' ' ' LYS . 92.5 t -65.52 -43.38 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.146 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.531 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.1 mp -57.88 -51.97 63.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.295 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.543 ' HB2' HD21 ' A' ' 61' ' ' LEU . 56.0 m-85 -68.79 -44.1 74.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.412 . . . . 0.0 112.029 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.553 ' HA ' HD13 ' A' ' 61' ' ' LEU . 54.2 pttt -65.6 -30.74 71.51 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.594 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 55.9 tt0 -71.29 -32.33 68.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.581 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 11' ' ' ILE . 72.4 mt -62.46 -48.32 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.037 0.446 . . . . 0.0 110.177 176.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -70.58 -30.21 66.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.832 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.478 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 29.6 t70 -67.65 -39.32 84.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.121 0.486 . . . . 0.0 110.811 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 28.8 mmmt -67.57 -44.49 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.309 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.85 -27.86 31.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.845 -175.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.556 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 39.2 ptt180 -79.17 -17.84 54.19 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.171 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.401 ' OD1' ' HG3' ' A' ' 20' ' ' ARG . 6.5 m-20 -109.28 -44.72 3.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.494 -178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.32 -20.28 19.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.303 -174.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt 62.38 33.14 16.54 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.483 0.49 . . . . 0.0 111.24 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -83.51 77.75 9.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.684 0.754 . . . . 0.0 110.348 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -66.89 -31.05 71.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.054 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -61.45 -49.5 76.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.528 0.204 . . . . 0.0 110.949 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -69.69 -31.01 68.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.223 0.535 . . . . 0.0 110.197 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.602 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.5 t80 -67.59 -51.56 48.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.402 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -60.19 -43.13 96.16 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.675 0.274 . . . . 0.0 111.702 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 6.3 p -65.68 -40.06 91.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.269 -176.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -70.9 -30.68 67.09 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.449 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 83.3 mt -63.24 -45.83 89.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 175.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HA ' HG21 ' A' ' 112' ' ' ILE . 2.0 tmtp? -64.74 -30.36 71.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 -178.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 30' ' ' SER . 47.2 mtp180 -75.62 -31.71 59.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.975 -177.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -121.71 -48.31 2.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -170.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -81.92 36.31 0.45 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.446 0.298 . . . . 0.0 110.903 -175.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.608 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 17.7 t -51.33 -37.74 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.134 -172.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 39.4 m -77.35 -81.26 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.556 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -172.79 149.57 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.461 0.172 . . . . 0.0 110.575 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.627 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 52.5 p90 -118.13 137.19 53.12 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.52 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 63.6 mt -104.01 109.78 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.282 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.672 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.2 t80 -100.62 125.85 47.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.929 -177.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.431 ' HD2' ' HB2' ' A' ' 48' ' ' ASN . 25.6 m-85 -99.07 112.58 24.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 97' ' ' ARG . 56.2 mt -71.03 -3.31 18.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.213 -174.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.87 -61.01 1.72 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.737 0.303 . . . . 0.0 111.481 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 p -94.53 -6.4 43.84 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -174.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.654 ' HB2' HD13 ' A' ' 67' ' ' ILE . 33.1 tt0 64.61 33.3 10.82 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.961 0.886 . . . . 0.0 109.438 -177.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' HB2' ' HD2' ' A' ' 43' ' ' TYR . 11.2 m120 -96.16 138.45 33.75 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 t -129.71 128.76 65.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.832 0.349 . . . . 0.0 110.952 -176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.52 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 40.6 m-70 -103.01 99.34 9.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.029 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.3 mp -90.69 97.27 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.902 0.382 . . . . 0.0 110.081 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.522 ' O ' ' HB2' ' A' ' 38' ' ' SER . 20.8 t -82.74 113.93 22.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.0 mt -71.13 170.38 13.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.146 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.608 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 8.7 ttpp -84.05 13.23 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 64.4 t30 -138.15 48.56 1.97 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.278 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 7.3 t70 78.23 -45.08 0.41 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 167.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.65 144.02 54.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.893 0.378 . . . . 0.0 111.453 -176.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.7 m -122.97 129.53 51.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 19.1 t -93.47 119.17 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.016 178.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 tp -100.83 109.2 21.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.091 0.472 . . . . 0.0 111.129 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 13' ' ' LYS . 74.5 mt -93.18 142.6 27.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.973 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -129.29 101.17 5.87 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.315 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.59 -61.44 3.85 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 168.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 tp 59.59 29.17 18.71 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.093 0.557 . . . . 0.0 111.692 169.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -99.45 12.63 35.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 64.77 98.37 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.018 177.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.654 HD13 ' HB2' ' A' ' 47' ' ' GLU . 3.0 mp -108.23 -55.8 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 172.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.2 t 42.62 66.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.462 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.9 m -105.35 3.28 29.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.046 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 44.2 t -76.33 122.92 31.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.084 -175.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.474 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 65.8 mmtt -104.27 159.56 15.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.012 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -79.63 78.62 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.6 m -141.55 177.58 8.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.623 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -149.82 32.25 0.7 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.618 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.66 131.08 34.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.554 -172.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -90.83 -16.22 28.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.906 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -67.71 -49.6 61.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.073 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.4 tp -63.22 -32.23 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.616 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.61 -52.84 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.211 0.529 . . . . 0.0 109.813 174.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.8 -37.57 84.86 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.018 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 m -65.26 -45.11 85.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.695 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -69.08 -31.91 70.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.136 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -62.77 -47.64 82.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.076 0.465 . . . . 0.0 109.894 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -68.1 -30.3 69.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.825 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -61.0 -48.47 81.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.117 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 90' ' ' GLU . 26.0 tp -62.92 -38.68 91.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.423 177.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -67.42 -47.46 70.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.009 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.5 t -82.5 -51.42 7.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.922 -174.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -96.6 -12.38 24.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -172.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.498 ' O ' HD12 ' A' ' 86' ' ' LEU . 36.6 tt0 72.48 -51.23 0.7 Allowed 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.756 0.66 . . . . 0.0 111.461 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.4 pt 46.79 -164.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.649 1.18 . . . . 0.0 112.767 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.0 m -105.42 147.27 28.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.891 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.556 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 66.2 t80 -56.94 -34.14 67.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.209 0.528 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.546 ' HG3' HH21 ' A' ' 97' ' ' ARG . 59.3 tt0 -60.01 -44.24 94.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.791 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -71.34 -35.6 71.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.49 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -56.67 -50.03 73.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.311 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.546 HH21 ' HG3' ' A' ' 94' ' ' GLN . 72.1 mtm180 -60.06 -42.07 93.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 60.8 mtp180 -53.87 -57.98 8.93 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.037 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -72.91 -23.57 60.72 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -172.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.72 -40.81 76.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.085 0.469 . . . . 0.0 109.908 173.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -68.31 -33.42 74.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 177.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 74.6 mmtt -62.85 -22.72 66.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.066 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.34 -11.65 59.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 109.33 3.11 31.2 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.777 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.23 121.45 33.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.027 0.441 . . . . 0.0 110.385 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.581 ' HB3' ' HA ' ' A' ' 122' ' ' PHE . 69.0 t80 -118.21 -27.31 6.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.901 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 1.063 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 2.3 tpp180 -109.18 95.44 5.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.263 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.672 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.1 t90 -88.9 102.94 15.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.496 HG23 ' HG3' ' A' ' 107' ' ' ARG . 66.5 t -117.2 111.98 37.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.771 0.32 . . . . 0.0 110.587 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.627 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 29.1 m -108.6 113.18 25.96 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.071 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -89.24 105.7 17.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.537 HG21 ' HA ' ' A' ' 33' ' ' LYS . 49.8 mm -73.87 -28.3 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.503 -175.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.518 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 16.4 t-80 -66.8 -34.26 77.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.225 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -96.39 -7.44 35.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.754 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 55.12 43.64 29.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.479 0.657 . . . . 0.0 109.332 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.48 ' HE2' HG21 ' A' ' 129' ' ' THR . 75.1 tttt -131.43 121.58 24.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.651 -168.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -101.11 120.43 40.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.933 0.397 . . . . 0.0 110.571 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.416 ' OH ' ' HD3' ' A' ' 116' ' ' LYS . 84.4 m-85 -102.7 142.41 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.81 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.465 ' CD1' ' HB3' ' A' ' 128' ' ' PHE . 96.2 m-85 -117.87 112.86 20.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.237 175.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 1.063 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 95.9 m-85 -113.42 142.8 45.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.285 0.365 . . . . 0.0 110.68 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.462 ' HB ' HD11 ' A' ' 127' ' ' LEU . 15.3 t -72.07 -179.02 2.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.502 175.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.581 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 35.1 p90 -60.32 -29.72 69.05 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.402 ' H ' HG23 ' A' ' 121' ' ' THR . 28.2 t70 -87.81 2.98 49.96 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.316 179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 5.1 t30 66.14 71.7 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.526 -177.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 120' ' ' TYR . 15.1 m -131.78 139.42 48.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.782 175.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.419 HD11 ' OG1' ' A' ' 129' ' ' THR . 29.6 tp -71.14 115.23 10.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.117 0.485 . . . . 0.0 111.291 -173.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.462 HD11 ' HB ' ' A' ' 121' ' ' THR . 94.0 mt -101.49 -46.77 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.708 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.465 ' HB3' ' CD1' ' A' ' 119' ' ' TYR . 20.9 t80 -141.95 149.03 39.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.48 HG21 ' HE2' ' A' ' 116' ' ' LYS . 9.4 m -145.11 117.85 8.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.696 0.284 . . . . 0.0 110.273 177.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -132.01 134.59 45.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 70.3 m -80.13 127.58 32.49 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.5 pt -82.47 95.87 3.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.342 0.592 . . . . 0.0 111.543 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.279 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.134 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.556 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 21.8 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.944 0.402 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -65.47 -26.91 68.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.584 -176.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.556 ' HB ' ' OD2' ' A' ' 7' ' ' ASP . 72.2 t -61.15 -37.58 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.468 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 7' ' ' ASP . 58.3 t -62.39 -46.14 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.631 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.2 mp -58.2 -51.51 70.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.711 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -60.83 -47.32 86.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.251 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 22.0 ttpp -60.21 -44.57 95.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.759 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -59.66 -36.65 76.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.637 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 11' ' ' ILE . 72.7 mt -60.2 -46.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 109.954 176.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.594 ' HA ' HG12 ' A' ' 19' ' ' VAL . 75.5 m-85 -69.62 -40.18 76.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.219 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.512 ' OD2' ' HG2' ' A' ' 13' ' ' LYS . 6.0 m-20 -54.81 -41.87 71.17 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.95 0.405 . . . . 0.0 110.966 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -76.24 -51.16 12.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.863 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -61.5 -27.24 41.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 16' ' ' PHE . 19.3 mtm180 -58.16 -31.67 67.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.67 0.271 . . . . 0.0 111.614 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -117.9 -26.25 6.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.011 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.32 -40.75 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 92' ' ' THR . 64.3 mt 71.48 13.79 6.42 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -77.54 124.36 27.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.079 174.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -101.54 -21.08 14.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.18 -52.78 44.83 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.75 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -68.45 -36.46 79.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.593 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 56.4 t80 -58.55 -58.98 6.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.87 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -68.36 -30.78 69.8 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 34' ' ' ARG . 24.0 t -62.78 -51.24 67.87 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -69.39 -26.88 64.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.82 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 29.9 mt -59.34 -58.81 6.97 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.482 174.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -69.63 -20.24 63.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.447 . . . . 0.0 110.649 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 30' ' ' SER . 29.7 ttp85 -89.9 -5.8 56.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.85 0.357 . . . . 0.0 111.382 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -130.63 -58.32 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.523 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' A' ' 40' ' ' TYR . 33.1 t30 -83.56 90.28 7.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.31 0.576 . . . . 0.0 109.896 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.75 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 13.5 t -86.3 -5.82 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.607 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.84 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 52.5 m -117.01 -91.74 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.722 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 9.8 p-80 -161.25 144.41 12.69 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.749 0.309 . . . . 0.0 111.812 -175.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.488 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 50.0 p90 -117.64 136.3 53.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 173.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.518 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 48.8 mt -101.81 103.34 14.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.827 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.941 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -93.01 117.47 30.1 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.89 -176.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -97.69 106.44 18.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.715 0.293 . . . . 0.0 110.953 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' H ' HD12 ' A' ' 44' ' ' LEU . 5.7 mp -69.09 -8.83 48.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 0.0 110.842 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.407 ' HA ' HG23 ' A' ' 70' ' ' VAL . . . -76.67 -28.88 56.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.353 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.58 HG23 HG12 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -131.3 -1.18 4.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.596 -175.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' A' ' 47' ' ' GLU . 2.9 tp10 61.11 23.16 13.38 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.784 0.802 . . . . 0.0 109.564 -173.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 1.8 p30 -99.62 138.62 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.189 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.7 t -124.41 128.61 73.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.165 -174.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.518 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 12.2 m-70 -99.53 89.82 4.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.005 175.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 5.0 mp -85.19 98.7 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.857 0.361 . . . . 0.0 110.108 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 38' ' ' SER . 39.2 t -88.05 106.11 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.1 mt -70.37 -173.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.611 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.75 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 11.0 ttpp -47.27 -63.67 0.98 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.489 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -160.15 21.46 0.16 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.2 -73.91 0.44 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.489 -170.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -163.25 176.78 9.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.4 m -104.18 124.25 48.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.874 0.369 . . . . 0.0 110.172 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.574 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 21.9 t -95.41 127.19 47.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 60.7 tp -113.21 113.89 25.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.664 0.269 . . . . 0.0 110.47 -177.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.538 HD23 HG13 ' A' ' 9' ' ' VAL . 27.3 mt -96.78 146.67 24.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.156 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.016 175.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.649 HG22 HG23 ' A' ' 68' ' ' VAL . 40.0 mt . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 121.203 0.525 . . . . 0.0 111.683 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.649 HG23 HG22 ' A' ' 67' ' ' ILE . 37.7 t 66.71 69.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.467 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -115.79 10.42 15.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.751 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.533 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 6.3 t -115.34 147.34 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.882 -174.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 37.0 mtpt -118.47 139.87 50.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -77.94 76.18 4.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.354 0.597 . . . . 0.0 109.941 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.3 m -139.11 78.5 1.68 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.653 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.588 ' HE2' HD21 ' A' ' 127' ' ' LEU . 13.3 ptmm? -75.51 105.55 6.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.253 -171.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -132.44 134.91 45.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.907 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -84.03 -28.9 27.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.167 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.451 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 65.8 t-80 -74.3 -37.68 63.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.7 tp -59.06 -32.08 69.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.945 0.402 . . . . 0.0 110.305 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.44 -52.62 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.524 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -67.59 -31.37 71.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.705 -176.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.3 m -67.63 -36.03 80.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.126 0.488 . . . . 0.0 110.365 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.559 HG22 ' CD1' ' A' ' 96' ' ' TYR . 37.6 m -73.88 -38.42 64.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.411 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 11.6 p -69.92 -32.81 71.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.347 . . . . 0.0 110.42 177.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.67 -37.31 87.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.783 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.676 ' HE2' HG21 ' A' ' 91' ' ' ILE . 77.7 tttt -67.05 -40.24 87.08 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.262 0.554 . . . . 0.0 109.868 177.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 90' ' ' GLU . 32.4 tp -66.04 -37.79 86.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.427 177.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -57.75 -44.9 86.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.264 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.3 m -78.25 -70.26 0.5 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.507 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 4.1 mmp_? -100.34 -14.69 18.28 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -172.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' A' ' 86' ' ' LEU . 46.9 mt-10 70.26 -12.52 0.5 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.255 0.622 . . . . 0.0 111.981 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.676 HG21 ' HE2' ' A' ' 85' ' ' LYS . 6.5 pt 35.35 -103.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.538 1.135 . . . . 0.0 113.518 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.507 ' HA ' HD11 ' A' ' 23' ' ' LEU . 8.1 m -154.7 138.71 16.4 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.569 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 72.8 t80 -61.95 -30.93 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 111.372 -173.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 4.8 pt20 -67.66 -41.36 83.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.919 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.73 -38.16 76.75 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.973 0.416 . . . . 0.0 110.036 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.559 ' CD1' HG22 ' A' ' 82' ' ' THR . 69.0 t80 -52.47 -44.68 65.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.405 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 97' ' ' ARG . 46.6 mtm180 -79.7 -21.34 44.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.809 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 18.4 mmm180 -67.12 -43.83 81.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.11 -34.94 75.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.56 -38.89 90.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.362 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 70' ' ' VAL . . . -65.56 -30.05 70.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.188 0.518 . . . . 0.0 110.372 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -76.78 -15.24 59.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.114 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.566 ' O ' ' HA ' ' A' ' 74' ' ' LYS . . . -94.1 4.92 53.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.213 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 81.21 20.75 64.08 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.133 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.1 t -82.96 99.95 6.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.17 0.51 . . . . 0.0 110.264 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -93.85 -30.53 14.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.593 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.72 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 68.5 mtt180 -116.41 100.42 7.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.23 0.538 . . . . 0.0 111.703 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.941 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.4 t90 -86.93 92.49 9.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 172.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.422 HG22 HG23 ' A' ' 41' ' ' ILE . 56.7 t -105.1 97.39 5.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.055 0.455 . . . . 0.0 110.751 -175.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 82.5 m -92.98 104.76 16.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.045 0.45 . . . . 0.0 110.127 178.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.553 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 59.8 t30 -98.99 84.97 3.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.798 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 43.7 mm -59.24 -34.25 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.549 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.84 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 11.4 t-160 -59.31 -26.31 64.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.246 -177.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 115' ' ' GLN . 18.8 tt0 -114.62 -4.04 12.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.837 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.49 ' HA ' HD11 ' A' ' 132' ' ' ILE . 28.9 mm-40 74.48 21.87 2.22 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.372 0.669 . . . . 0.0 112.359 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -117.91 142.6 47.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.051 0.453 . . . . 0.0 111.615 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.512 ' HB2' HG23 ' A' ' 132' ' ' ILE . 25.2 ttp180 -111.03 107.6 17.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 169.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -95.75 136.58 35.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.217 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -112.33 110.3 20.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.489 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.72 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 93.1 m-85 -111.16 148.4 32.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.086 0.469 . . . . 0.0 111.123 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.6 t -84.84 178.45 7.61 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 170.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -62.65 -33.67 75.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.17 0.51 . . . . 0.0 110.729 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.14 24.83 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.64 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 53.67 16.58 1.01 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.234 1.414 . . . . 0.0 114.159 173.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.7 m -73.67 135.36 43.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.9 tp -69.92 116.3 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.588 HD21 ' HE2' ' A' ' 74' ' ' LYS . 94.5 mt -86.68 -48.24 8.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.019 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -165.26 167.13 18.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.539 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 t -155.93 154.12 30.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -148.11 160.66 42.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.448 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.7 m -81.55 135.32 35.58 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.512 HG23 ' HB2' ' A' ' 117' ' ' ARG . 1.3 pp -79.58 75.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -174.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.613 176.61 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 121.455 0.645 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.497 ' OE1' HG22 ' A' ' 59' ' ' VAL . 36.2 tt0 -61.45 -26.49 67.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.682 -175.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG13 HD23 ' A' ' 61' ' ' LEU . 77.9 t -62.69 -38.24 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.078 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -59.82 -56.64 16.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.179 -177.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 11' ' ' ILE . 3.9 mp -57.61 -51.07 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.132 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.606 ' HB3' HD11 ' A' ' 61' ' ' LEU . 40.4 m-85 -67.78 -40.45 84.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -64.14 -37.61 88.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -66.09 -29.28 69.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.367 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 11' ' ' ILE . 74.3 mt -63.8 -51.26 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.484 ' HA ' HG12 ' A' ' 19' ' ' VAL . 44.4 m-85 -66.64 -27.03 67.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.22 -48.58 64.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.234 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 7.9 mptt -75.91 -31.63 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.025 -175.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 16' ' ' PHE . 10.0 p -71.33 -24.44 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.935 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -73.1 -26.67 61.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.766 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.467 HD22 ' N ' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -97.33 -49.78 4.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.185 0.517 . . . . 0.0 110.972 -179.114 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 33.0 t70 -85.36 -23.62 27.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.553 -173.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt 64.86 27.16 12.9 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.125 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.495 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 52.1 t-20 -86.38 94.26 9.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -69.63 -32.69 71.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.343 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.97 -48.86 78.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.933 0.397 . . . . 0.0 110.433 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -64.58 -40.33 95.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.366 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -57.89 -51.56 69.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.008 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -68.6 -25.01 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.474 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.9 m -66.52 -43.83 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.631 0.253 . . . . 0.0 110.496 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -71.02 -31.16 67.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.683 0.277 . . . . 0.0 110.968 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.97 -39.35 93.35 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.49 -30.38 70.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.235 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -96.26 -6.64 37.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.727 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -130.85 -58.55 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.834 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.508 HD21 ' HA ' ' A' ' 39' ' ' HIS . 6.5 t30 -87.16 88.54 7.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.081 0.467 . . . . 0.0 110.508 -178.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.36 -30.32 15.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.249 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.457 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 22.9 t -95.1 -94.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.508 ' HA ' HD21 ' A' ' 36' ' ' ASN . 51.1 p-80 -164.35 141.86 6.73 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.676 0.274 . . . . 0.0 111.387 -173.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.622 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 42.9 p90 -107.38 139.46 41.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 55.2 mt -101.46 110.94 29.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.111 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.688 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 20.0 t80 -101.75 122.21 43.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.846 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -95.58 112.2 23.97 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 108' ' ' TRP . 7.0 mp -63.94 149.54 47.01 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.711 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.752 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 72.26 -53.45 0.69 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.956 0.785 . . . . 0.0 111.791 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 m -66.21 -28.74 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.861 0.362 . . . . 0.0 110.795 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 6.2 mm-40 69.01 13.08 8.76 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.919 175.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -83.95 135.38 34.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.087 0.47 . . . . 0.0 110.342 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 6.2 t -120.31 122.21 67.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.025 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.457 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 11.0 m-70 -109.91 92.78 4.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.879 0.371 . . . . 0.0 110.108 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.512 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 56.9 mt -91.25 102.31 13.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.519 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 38' ' ' SER . 21.3 t -87.28 103.7 13.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 174.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.7 mt -51.93 -55.78 18.17 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.464 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' HB3' ' OD1' ' A' ' 56' ' ' ASP . 24.8 ttpp -148.94 -64.21 0.23 Allowed 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -167.59 19.21 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.816 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' OD1' ' HB3' ' A' ' 54' ' ' LYS . 1.3 m-20 -98.05 -73.35 0.62 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.83 -171.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -129.01 154.48 46.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.042 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 30.6 m -116.37 119.64 36.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.324 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.512 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 4.3 t -82.04 114.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.659 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 5.3 tt -100.37 113.33 25.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 12' ' ' PHE . 17.3 mt -117.57 164.57 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.436 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 25.4 ttmm . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 169.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.752 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 14.5 tt . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.549 HG12 ' H ' ' A' ' 70' ' ' VAL . 46.7 t 73.01 154.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 O-C-N 123.301 0.376 . . . . 0.0 110.429 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 31.1 t -93.84 -32.62 13.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.641 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 87.9 t 69.88 134.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.671 0.607 . . . . 0.0 110.913 -175.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -135.63 134.34 39.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.076 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -82.63 32.35 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -174.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -84.35 63.81 7.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.486 0.66 . . . . 0.0 109.273 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 103' ' ' ALA . 74.6 mttt -58.86 112.35 1.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.453 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -147.35 126.63 13.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.423 ' HG3' ' HD1' ' A' ' 128' ' ' PHE . 62.7 ttt-85 -70.0 -35.61 74.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.461 -177.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.58 -39.72 80.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.177 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.7 -34.69 76.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.73 0.3 . . . . 0.0 110.584 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.48 -46.27 96.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.22 -49.89 76.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.387 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -57.66 -44.5 85.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.31 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -67.22 -41.25 86.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -61.44 -43.29 99.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.395 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -72.88 -29.1 62.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.827 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -57.78 -47.45 82.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.135 0.493 . . . . 0.0 109.751 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.77 -49.15 55.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.095 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -67.36 -17.82 64.89 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.3 t -100.44 -58.29 1.93 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.144 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.69 -23.86 27.24 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -173.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 54.97 74.57 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.203 0.525 . . . . 0.0 110.098 -171.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.5 pt -79.13 -113.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.627 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.732 ' HB ' ' OE1' ' A' ' 95' ' ' GLU . 29.7 m -151.63 155.28 38.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -58.01 -33.27 68.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.93 0.492 . . . . 0.0 111.827 -173.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.38 -57.4 6.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.732 ' OE1' ' HB ' ' A' ' 92' ' ' THR . 23.5 mp0 -60.77 -35.66 76.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.825 -177.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -60.19 -45.01 94.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.529 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 97' ' ' ARG . 58.1 mtm180 -78.7 -23.56 45.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.856 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.458 HH11 ' HD2' ' A' ' 98' ' ' ARG . 60.7 mtt180 -63.5 -46.54 85.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.824 0.345 . . . . 0.0 110.349 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.9 -33.33 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.777 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.41 -44.25 88.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.482 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.641 ' HB1' ' HA ' ' A' ' 70' ' ' VAL . . . -68.18 -23.71 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -71.32 -22.84 61.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.41 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.651 ' O ' ' HA ' ' A' ' 74' ' ' LYS . . . -94.58 8.2 43.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.995 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.97 5.22 83.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.988 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.418 HG11 ' HD1' ' A' ' 119' ' ' TYR . 57.5 t -75.2 103.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.176 0.512 . . . . 0.0 110.711 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -106.79 -30.26 9.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.133 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.999 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 0.9 OUTLIER -106.23 104.14 13.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.478 -177.605 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.688 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.6 t90 -97.25 109.41 22.17 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.14 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.2 105.75 18.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.887 0.375 . . . . 0.0 111.081 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.622 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 57.9 m -92.35 108.95 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 66.3 t30 -100.95 93.71 5.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.001 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 45.0 mm -66.18 -25.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.108 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -58.02 -23.12 52.95 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.209 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 86.6 mt-10 -130.64 6.34 4.75 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.544 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 56.1 38.12 29.55 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.131 0.491 . . . . 0.0 111.157 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 59.3 mttp -131.79 138.78 48.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.645 -176.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.45 ' HG2' HG23 ' A' ' 110' ' ' THR . 74.5 mtm180 -104.57 114.46 28.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 173.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -95.76 120.04 35.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.615 -176.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.418 ' HD1' HG11 ' A' ' 105' ' ' VAL . 95.3 m-85 -97.08 106.5 18.85 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.537 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.999 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 96.3 m-85 -106.47 151.26 25.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.882 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 t -85.97 176.07 8.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -63.84 -19.88 65.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.22 0.534 . . . . 0.0 110.318 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.74 0.94 28.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.907 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 69.7 15.56 8.05 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.204 0.601 . . . . 0.0 111.399 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.5 m -88.56 136.9 32.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.008 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.409 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . 51.7 tp -88.14 119.81 28.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.858 0.361 . . . . 0.0 110.76 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.58 -45.08 7.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.423 ' HD1' ' HG3' ' A' ' 76' ' ' ARG . 20.1 t80 -139.45 133.11 30.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.55 -172.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 55.6 m -108.0 107.14 17.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.521 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -102.67 140.39 37.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.203 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.7 t -105.91 124.19 49.17 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.6 pt -83.14 82.23 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.528 0.68 . . . . 0.0 111.497 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.367 178.185 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 CA--C 1.51 -0.593 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.473 ' O ' ' HD1' ' A' ' 12' ' ' PHE . 35.6 tt0 -61.11 -20.22 62.38 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 172.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 HD23 ' A' ' 61' ' ' LEU . 22.1 t -67.94 -36.89 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.825 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.4 -40.6 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.805 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.8 mp -64.95 -53.69 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.816 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.62 ' HB3' HD11 ' A' ' 61' ' ' LEU . 54.1 m-85 -59.78 -49.47 77.6 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -177.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 61.5 tttm -62.28 -38.93 91.23 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.612 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -55.67 -38.48 69.68 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.506 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 55.7 mt -60.35 -50.35 80.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.365 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.514 ' HA ' HG12 ' A' ' 19' ' ' VAL . 82.6 m-85 -68.56 -36.35 78.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.628 -177.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.419 ' OD2' ' HG2' ' A' ' 13' ' ' LYS . 50.8 m-20 -59.04 -41.18 87.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 0.0 111.074 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -76.93 -44.38 31.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.368 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 16' ' ' PHE . 8.6 p -66.81 -25.28 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.603 0.239 . . . . 0.0 111.086 -177.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -52.7 -47.46 67.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.27 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -104.57 -44.34 4.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.654 -172.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD2' ' HB3' ' A' ' 24' ' ' ASN . 32.1 t70 -82.44 -28.28 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.355 -171.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.7 mt 65.13 33.65 9.27 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.366 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.401 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . 13.3 p-10 -79.79 84.94 5.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.749 0.785 . . . . 0.0 110.781 178.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 2.5 m-30 -70.47 -30.55 67.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.953 -175.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.93 -35.24 80.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.506 ' CZ3' ' HA ' ' A' ' 15' ' ' ILE . 43.1 t90 -83.85 -37.99 21.76 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 174.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 25' ' ' TYR . 46.6 t80 -53.67 -56.69 15.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.259 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -71.91 -27.44 62.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.646 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.7 t -64.62 -51.32 63.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -68.42 -38.41 81.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.294 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.434 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 32.7 mt -58.19 -47.57 83.03 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.537 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.578 ' HA ' HG21 ' A' ' 112' ' ' ILE . 33.1 ttpt -70.16 -22.83 62.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 0.0 111.059 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -91.5 -5.82 53.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.129 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 78.9 m-70 -130.51 -57.29 1.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.636 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -86.63 90.24 8.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.816 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.526 HG11 ' HE2' ' A' ' 54' ' ' LYS . 15.7 t -87.62 -7.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.786 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.7 t -110.49 -86.13 0.54 Allowed 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.78 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -173.44 151.0 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -175.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.61 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 40.9 p90 -126.28 144.71 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 41' ' ' ILE . 4.3 mp -107.05 111.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.802 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.825 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.3 t80 -96.74 117.04 30.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.241 178.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -90.34 116.31 28.2 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.24 170.74 13.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.781 -0.19 . . . . 0.0 110.673 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 72.04 -51.12 0.7 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.431 0.693 . . . . 0.0 111.791 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 p -91.63 -25.53 19.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.832 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 66.18 29.26 9.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.679 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -85.35 131.77 34.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.626 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.6 t -119.19 131.2 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.416 -176.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -114.88 105.34 12.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.605 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.457 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.5 mp -102.31 112.08 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.9 t -92.41 120.56 41.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 mt -77.28 -174.48 3.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.609 0.718 . . . . 0.0 112.302 -175.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HE2' HG11 ' A' ' 37' ' ' VAL . 39.7 ttmt -67.99 -27.94 67.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.651 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -133.01 68.62 1.5 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.186 0.517 . . . . 0.0 110.671 -174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t70 78.97 -51.48 0.45 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.719 -1.128 . . . . 0.0 113.535 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -52.91 130.46 33.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.174 0.511 . . . . 0.0 112.059 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.0 m -114.52 126.49 55.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.683 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.6 139.92 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.892 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.459 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 8.5 mp -118.26 115.23 24.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.813 0.339 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' ' 12' ' ' PHE . 20.0 mt -103.31 167.02 10.09 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 174.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.2 tttp . . . . . 0 C--N 1.321 -0.67 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.581 176.565 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.059 0.456 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.68 71.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.791 0.805 . . . . 0.0 109.64 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -126.6 18.92 7.39 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.001 177.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.581 HG22 ' HB1' ' A' ' 101' ' ' ALA . 39.4 t -75.33 115.21 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.648 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.446 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 31.2 mmmt -77.38 134.25 38.49 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 174.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -80.18 34.06 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.575 0.703 . . . . 0.0 110.763 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 71' ' ' LYS . 54.6 m -99.76 -164.37 1.12 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.116 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.612 ' HB2' HD21 ' A' ' 127' ' ' LEU . 21.4 pttm -158.2 101.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 111.211 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -137.07 148.25 46.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.877 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.565 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 11.7 ptm180 -100.32 -22.17 15.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.251 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -67.91 -41.48 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.68 0.276 . . . . 0.0 111.096 -172.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 28.4 tp -64.27 -27.62 69.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.024 0.44 . . . . 0.0 109.975 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 76' ' ' ARG . 51.0 mt -72.23 -50.09 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 174.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.579 ' HG2' ' CE1' ' A' ' 128' ' ' PHE . 38.1 mt-10 -58.14 -42.99 87.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.35 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.1 p -67.81 -37.45 82.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.053 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.462 HG21 ' HB2' ' A' ' 99' ' ' ASN . 67.1 m -73.1 -34.3 66.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.83 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 t -61.98 -47.35 85.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.33 0.586 . . . . 0.0 109.487 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.87 -34.98 78.52 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.149 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -67.73 -30.25 69.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.651 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 62.0 tp -74.17 -30.26 62.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.117 0.484 . . . . 0.0 110.259 177.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -76.62 -44.15 35.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.191 0.52 . . . . 0.0 110.331 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.5 t -76.42 -63.41 1.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.639 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -84.53 -30.37 25.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.194 -173.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 37.0 tt0 58.12 62.03 2.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.7 0.762 . . . . 0.0 110.621 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.3 pt -71.88 169.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.088 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.73 162.19 29.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -57.61 -41.91 82.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.275 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.52 ' HA ' ' HG2' ' A' ' 97' ' ' ARG . 4.8 pt20 -70.49 -24.91 62.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.651 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -34.99 34.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.228 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -62.89 -48.84 77.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.001 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' A' ' 94' ' ' GLN . 33.1 ptt180 -68.43 -24.51 64.74 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.775 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -59.77 -50.03 75.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.116 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.462 ' HB2' HG21 ' A' ' 82' ' ' THR . 44.5 m-80 -71.69 -31.72 67.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.414 -177.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.35 -39.03 88.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.75 0.31 . . . . 0.0 110.674 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.581 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -61.49 -36.02 79.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.403 0.621 . . . . 0.0 110.088 175.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -69.1 -21.87 64.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.732 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 78' ' ' LEU . . . -89.82 -8.46 52.02 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.98 0.419 . . . . 0.0 111.08 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 101.38 8.75 46.08 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.848 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.1 102.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.117 0.484 . . . . 0.0 110.361 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -105.64 -26.82 11.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.964 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.929 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 19.8 mmt180 -102.8 92.56 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.072 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.825 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.9 t90 -87.79 95.82 10.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.424 HG12 ' OD1' ' A' ' 111' ' ' ASN . 17.8 t -110.47 103.47 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.945 0.402 . . . . 0.0 110.665 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.61 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 28.0 m -96.6 112.65 24.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.874 0.369 . . . . 0.0 110.294 177.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.424 ' OD1' HG12 ' A' ' 109' ' ' VAL . 3.0 m-20 -97.89 108.27 20.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.068 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.578 HG21 ' HA ' ' A' ' 33' ' ' LYS . 49.5 mm -73.47 -31.12 31.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -64.6 -40.63 95.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.404 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -86.78 -10.82 52.68 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.161 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 62.89 32.6 15.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.827 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 61.7 mttp -143.23 150.36 39.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.171 0.51 . . . . 0.0 112.091 -173.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.537 ' HD3' ' OH ' ' A' ' 119' ' ' TYR . 95.3 mtt180 -95.83 114.22 25.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.705 173.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.41 119.88 39.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.991 0.424 . . . . 0.0 110.457 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.537 ' OH ' ' HD3' ' A' ' 117' ' ' ARG . 45.9 m-85 -107.22 109.33 21.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.945 0.402 . . . . 0.0 110.679 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.929 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 77.2 m-85 -105.18 144.48 31.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.709 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.666 ' HB ' HD11 ' A' ' 127' ' ' LEU . 5.6 t -77.71 174.01 11.43 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -61.84 -19.45 62.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.536 0.684 . . . . 0.0 109.831 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.551 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 31.7 t70 -78.81 2.17 20.81 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.403 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.551 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 1.7 t30 77.1 -9.86 1.45 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.24 0.543 . . . . 0.0 111.489 178.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.0 m -76.68 135.9 39.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.971 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.5 tp -75.75 127.39 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.424 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.666 HD11 ' HB ' ' A' ' 121' ' ' THR . 81.0 mt -101.24 -59.24 1.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 -177.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.579 ' CE1' ' HG2' ' A' ' 80' ' ' GLU . 57.0 t80 -138.53 157.32 46.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.392 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 31.9 m -144.16 108.5 4.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.686 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.413 ' HG3' ' HB2' ' A' ' 117' ' ' ARG . 8.4 pt-20 -105.76 128.58 53.79 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 18.9 p -86.39 141.36 29.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.897 0.38 . . . . 0.0 111.228 -175.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 40.2 pt -84.76 0.29 5.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.776 0.798 . . . . 0.0 109.21 174.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.977 173.555 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.462 ' OD1' HG23 ' A' ' 9' ' ' VAL . 9.9 t70 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.534 ' HA ' HD13 ' A' ' 11' ' ' ILE . 9.3 tt0 -68.99 -19.61 64.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.742 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.462 HG23 ' OD1' ' A' ' 7' ' ' ASP . 69.3 t -54.72 -39.74 48.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.72 174.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.9 t -59.74 -45.74 94.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.403 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.54 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -62.84 -53.38 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.733 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.576 ' HB3' HD11 ' A' ' 61' ' ' LEU . 23.0 m-85 -62.33 -48.67 78.82 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' HB2' HD22 ' A' ' 61' ' ' LEU . 24.0 ttpp -63.05 -32.52 73.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.363 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -69.5 -33.56 73.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 11' ' ' ILE . 82.7 mt -63.82 -54.06 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.199 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.508 ' HA ' HG12 ' A' ' 19' ' ' VAL . 75.6 m-85 -64.38 -32.74 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.235 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 9.1 t0 -60.6 -47.49 85.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.311 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -68.2 -53.29 25.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.267 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 16' ' ' PHE . 7.4 p -65.33 -19.13 25.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -175.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.599 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 14.4 ttp85 -55.27 -48.54 73.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.207 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -103.07 -37.9 7.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.389 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.41 -29.83 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.077 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 mt 61.04 32.27 19.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.932 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -77.74 70.43 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.68 0.753 . . . . 0.0 110.212 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 51.7 m-85 -59.82 -23.27 63.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.631 -178.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.434 ' CD ' ' H ' ' A' ' 26' ' ' GLN . 20.3 mp0 -60.98 -41.69 96.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.003 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.8 t90 -83.33 -31.45 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.134 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.4 t80 -60.5 -49.68 76.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.555 177.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -66.7 -33.9 76.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.063 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 p -72.6 -43.12 63.74 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.996 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -66.24 -33.05 74.87 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.648 0.261 . . . . 0.0 111.264 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 74.4 mt -60.55 -53.6 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.254 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HD3' HG23 ' A' ' 112' ' ' ILE . 34.4 mmtp -66.76 -14.99 63.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.612 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -97.33 -13.62 21.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -130.84 -61.29 0.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.386 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.43 ' O ' HG13 ' A' ' 112' ' ' ILE . 35.1 t30 -79.58 89.99 5.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.883 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.617 HG21 ' HD3' ' A' ' 54' ' ' LYS . 44.6 t -77.79 -31.45 17.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.477 -178.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.3 t -97.56 -79.26 0.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.691 -175.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -168.12 147.28 4.62 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.66 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.521 ' HB2' HG12 ' A' ' 51' ' ' ILE . 32.0 p90 -122.09 131.09 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 171.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.553 ' HB ' ' HB3' ' A' ' 50' ' ' HIS . 28.0 mt -106.77 108.62 25.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.227 -177.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.755 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -89.3 111.34 22.14 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -87.36 95.89 10.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' H ' HD12 ' A' ' 44' ' ' LEU . 6.9 mp -54.47 -49.52 69.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -170.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.469 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . . . -68.99 -9.53 52.84 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -115.82 -9.35 11.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.316 0.579 . . . . 0.0 109.804 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 51.91 31.31 8.28 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.307 -173.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.19 127.39 45.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.363 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.557 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 7.9 t -100.53 107.55 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.87 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 16.6 t-160 -91.37 85.49 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.294 -177.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.521 HG12 ' HB2' ' A' ' 40' ' ' TYR . 28.9 mt -93.54 111.85 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.304 -175.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.3 t -104.28 118.05 50.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.9 mt -78.48 -164.93 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.336 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.617 ' HD3' HG21 ' A' ' 37' ' ' VAL . 14.6 pttp -66.38 -70.35 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' H ' ' HG3' ' A' ' 54' ' ' LYS . 20.6 m120 -144.73 15.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.41 -72.24 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.667 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -167.22 -172.14 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.384 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 m -117.66 136.82 53.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.04 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -112.99 122.68 67.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.557 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 6.3 mp -115.52 99.14 7.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.654 0.264 . . . . 0.0 110.583 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 12' ' ' PHE . 23.8 mt -82.27 132.79 35.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.929 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt . . . . . 0 C--N 1.32 -0.676 0 CA-C-O 121.108 0.48 . . . . 0.0 110.275 177.688 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.0 mp . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 122.206 1.003 . . . . 0.0 109.668 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.3 p -108.66 19.45 5.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 122.695 1.236 . . . . 0.0 108.429 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 p -84.93 26.03 0.88 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.859 -1.519 . . . . 0.0 111.989 -172.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.89 113.03 4.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -95.14 159.33 15.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.687 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.628 ' HA ' ' HE1' ' A' ' 122' ' ' PHE . 11.9 p90 -75.81 77.06 2.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.139 0.971 . . . . 0.0 110.253 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.6 m -134.5 170.81 15.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.171 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -157.54 86.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.285 0.564 . . . . 0.0 110.902 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -133.98 137.38 44.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.461 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.452 ' HB2' ' HB2' ' A' ' 128' ' ' PHE . 35.8 ptt180 -100.81 -16.83 17.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.33 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -74.39 -35.57 63.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.534 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.479 HD21 ' HD3' ' A' ' 102' ' ' LYS . 48.1 tp -60.26 -43.3 96.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.826 0.346 . . . . 0.0 110.125 174.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.35 -48.16 90.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.157 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.43 -45.87 76.76 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.8 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -65.96 -38.51 88.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.979 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.562 HG22 ' CD1' ' A' ' 96' ' ' TYR . 31.2 m -70.31 -37.51 74.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.748 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 t -58.86 -47.72 83.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.329 0.585 . . . . 0.0 109.472 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -62.68 -37.42 86.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.888 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.64 -46.45 88.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.623 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 96' ' ' TYR . 4.4 mm? -67.64 -41.45 83.82 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.419 0.628 . . . . 0.0 109.905 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -58.03 -48.47 79.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.015 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.4 t -93.44 -38.75 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -91.32 -28.18 17.91 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -170.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 59.03 49.93 8.87 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.385 0.428 . . . . 0.0 110.755 -176.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.508 HG13 HD13 ' A' ' 86' ' ' LEU . 2.9 pt -72.49 -95.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.411 ' H ' HG13 ' A' ' 91' ' ' ILE . 41.7 m -155.84 142.48 18.74 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.599 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 55.9 t80 -63.59 -35.03 79.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.838 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 1.5 pp0? -69.38 -27.92 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.786 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.483 ' HB3' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -68.15 -41.24 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.517 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.562 ' CD1' HG22 ' A' ' 82' ' ' THR . 77.7 t80 -56.24 -47.39 78.59 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.196 174.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -60.55 -39.67 88.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.227 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 22.0 mtp180 -65.78 -39.56 91.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 111.437 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -68.35 -31.94 71.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -68.02 -40.74 82.87 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.492 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 -35.79 81.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.204 0.526 . . . . 0.0 110.283 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.479 ' HD3' HD21 ' A' ' 78' ' ' LEU . 77.7 tttt -65.02 -32.02 73.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.606 176.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.437 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -79.91 -14.21 58.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.114 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.97 11.12 35.29 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 81.1 t -76.37 122.43 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.11 0.481 . . . . 0.0 110.662 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 45' ' ' ALA . 30.4 t80 -121.55 -25.67 5.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.16 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.791 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 5.5 mpt_? -104.09 90.29 3.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.183 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.755 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 3.0 t90 -88.72 82.56 6.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 174.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.545 HG22 HG23 ' A' ' 41' ' ' ILE . 19.5 t -96.33 96.81 5.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.432 -176.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.46 HG23 ' HG2' ' A' ' 117' ' ' ARG . 93.9 m -90.1 102.98 15.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.251 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 114' ' ' GLU . 9.8 m120 -88.98 113.66 24.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.324 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.57 HG23 ' HD3' ' A' ' 33' ' ' LYS . 31.7 mm -76.78 -46.74 29.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.793 -177.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -63.91 -33.21 75.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.086 0.47 . . . . 0.0 110.315 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.582 ' HB2' ' HB3' ' A' ' 111' ' ' ASN . 8.3 mp0 -86.08 -12.53 49.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.804 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 63.08 30.32 16.19 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.666 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 54.3 mttp -144.11 141.84 30.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.207 0.527 . . . . 0.0 111.945 -177.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.461 ' NH2' ' HG3' ' A' ' 130' ' ' GLU . 85.3 mtm180 -98.43 108.79 21.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.415 173.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -94.99 113.97 25.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -100.14 105.45 17.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.891 0.377 . . . . 0.0 110.556 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.791 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 75.4 m-85 -103.48 148.03 26.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.201 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.514 ' HB ' HD11 ' A' ' 127' ' ' LEU . 10.0 t -76.51 179.74 5.73 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.628 ' HE1' ' HA ' ' A' ' 72' ' ' PHE . 47.5 p90 -67.47 -16.42 64.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.143 0.497 . . . . 0.0 110.594 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.483 ' H ' HG23 ' A' ' 121' ' ' THR . 33.1 t70 -83.46 -1.02 52.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.391 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 69.49 16.48 8.17 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.576 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.4 m -84.19 132.82 34.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.3 tp -73.23 106.94 5.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.514 HD11 ' HB ' ' A' ' 121' ' ' THR . 77.0 mt -80.94 -52.45 7.43 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.152 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.452 ' HB2' ' HB2' ' A' ' 76' ' ' ARG . 71.2 t80 -154.1 153.82 32.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.822 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.0 t -133.44 122.08 23.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.241 0.543 . . . . 0.0 109.982 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.461 ' HG3' ' NH2' ' A' ' 117' ' ' ARG . 8.0 tp10 -109.6 116.83 32.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.407 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 20.2 m -69.69 147.3 50.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.11 0.481 . . . . 0.0 111.604 -174.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 112' ' ' ILE . 20.4 pt -98.82 122.42 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 170.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -168.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -55.13 -36.51 65.83 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.28 0.363 . . . . 0.0 110.912 -177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.447 HG13 HD23 ' A' ' 61' ' ' LEU . 72.9 t -62.95 -38.58 82.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.024 0.44 . . . . 0.0 110.86 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.1 -41.75 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.747 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.0 mp -64.87 -52.32 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.634 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.429 ' HB3' HD11 ' A' ' 61' ' ' LEU . 40.1 m-85 -64.01 -41.19 97.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.53 -30.65 67.46 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.152 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.45 -32.42 74.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.048 0.451 . . . . 0.0 109.797 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.496 ' HA ' ' HZ2' ' A' ' 27' ' ' TRP . 75.8 mt -60.77 -48.9 86.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.165 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.47 ' HA ' HG12 ' A' ' 19' ' ' VAL . 78.8 m-85 -69.86 -31.4 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.015 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 8.8 t0 -65.28 -46.37 80.7 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.916 ' HE2' ' HA ' ' A' ' 18' ' ' LYS . 7.3 mmpt? -60.77 -44.79 96.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.678 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.57 ' O ' HD23 ' A' ' 23' ' ' LEU . 11.4 p -69.82 -32.58 52.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.713 -175.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.435 ' HD2' ' C ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -80.6 -19.62 45.08 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.815 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -94.21 -51.0 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.275 0.559 . . . . 0.0 110.877 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.623 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . 2.6 m-20 -91.37 -30.63 16.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.378 -171.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 19' ' ' VAL . 52.9 mt 66.65 10.28 7.31 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.623 ' OD1' ' HB3' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -79.44 84.72 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.239 -0.585 . . . . 0.0 109.891 172.251 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.456 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 97.7 m-85 -60.56 -25.19 65.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.046 -175.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.662 HE21 ' HA ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -56.31 -31.33 63.6 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 110.548 179.076 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.496 ' HZ2' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -76.56 -39.47 52.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.072 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.532 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 76.9 t80 -77.91 -37.64 47.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.103 -167.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 25' ' ' TYR . 62.4 m-85 -70.31 -22.92 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 0.0 110.071 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 m -72.88 -37.65 67.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.541 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' HG3' HG23 ' A' ' 15' ' ' ILE . 62.9 mm-40 -61.45 -45.94 92.17 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.571 173.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 90.8 mt -59.5 -48.95 79.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.769 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -71.83 -21.93 61.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.773 0.321 . . . . 0.0 111.371 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 -93.34 -27.79 16.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -116.19 -48.55 2.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.168 -0.332 . . . . 0.0 111.618 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -82.15 80.24 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.365 0.603 . . . . 0.0 109.881 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -71.79 -33.32 47.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.268 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 13.0 t -97.07 -85.08 0.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.722 -176.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -174.66 142.47 0.72 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.679 0.276 . . . . 0.0 110.614 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.441 ' HB2' HG13 ' A' ' 51' ' ' ILE . 38.2 p90 -113.28 143.71 43.96 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.143 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.419 HG21 HH21 ' A' ' 107' ' ' ARG . 4.4 mp -111.99 114.34 46.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.68 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.823 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.8 t80 -92.89 133.5 36.03 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -109.11 99.79 9.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.28 0.562 . . . . 0.0 109.715 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 66.0 mt -69.94 -8.38 48.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.212 -172.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' A' ' 70' ' ' VAL . . . -82.48 -6.72 59.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.761 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 2.7 p -142.39 -3.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.331 0.395 . . . . 0.0 111.534 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HA ' ' HE1' ' A' ' 42' ' ' TYR . 13.1 mm-40 66.41 16.84 10.54 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.221 -171.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.79 155.11 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.911 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.47 142.38 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.602 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -120.16 99.85 6.84 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.8 mp -93.31 110.46 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.279 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 38' ' ' SER . 19.4 t -90.35 112.08 24.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 78.9 mt -71.21 -177.46 1.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.499 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -41.31 -58.02 1.97 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.622 0.576 . . . . 0.0 111.976 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -168.79 35.74 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -104.64 -72.82 0.69 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.996 -171.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -143.69 156.79 44.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.434 -174.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.488 HG23 HG22 ' A' ' 52' ' ' VAL . 24.5 m -107.81 94.98 5.37 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 172.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.8 t -72.91 117.13 16.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.696 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.716 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.4 pt? -99.59 109.14 21.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.594 0.711 . . . . 0.0 110.729 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.447 HD23 HG13 ' A' ' 9' ' ' VAL . 54.1 mt -93.46 133.2 36.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.721 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' A' ' 67' ' ' ILE . 8.9 tp . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 122.034 0.921 . . . . 0.0 111.709 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.51 102.48 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.808 0.813 . . . . 0.0 111.292 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.8 m -109.71 11.06 24.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.348 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.611 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 48.8 t -70.93 105.96 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.348 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -86.11 139.97 30.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.428 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.41 85.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.309 0.576 . . . . 0.0 110.048 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.462 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 73.9 m -153.66 168.62 25.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.801 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HE2' ' OD1' ' A' ' 123' ' ' ASP . 67.7 mttt -134.02 51.15 2.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -86.98 116.97 25.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.577 -171.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -88.36 -18.05 29.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.506 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -83.63 -33.83 25.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.847 0.356 . . . . 0.0 110.046 -176.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.2 tp -65.71 -35.55 81.07 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.07 -48.97 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.854 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.63 -48.61 74.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.697 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.4 m -60.65 -45.01 95.7 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.965 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.0 m -64.29 -43.84 93.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.876 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.6 t -59.44 -50.71 72.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.892 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -58.88 -44.92 91.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.858 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.778 ' HE2' HG21 ' A' ' 91' ' ' ILE . 87.4 tttt -60.56 -38.06 83.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.553 ' HA ' HG12 ' A' ' 91' ' ' ILE . 51.5 tp -72.4 -53.0 13.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 111.368 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -73.69 -23.56 59.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.891 -172.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.6 m -98.68 -47.87 5.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -99.7 4.45 45.53 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -173.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 74.11 -56.97 0.63 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.083 0.553 . . . . 0.0 112.337 173.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.778 HG21 ' HE2' ' A' ' 85' ' ' LYS . 35.3 pt 34.82 -124.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.266 1.026 . . . . 0.0 112.989 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -147.87 142.2 26.27 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.456 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 61.3 t80 -59.22 -29.12 67.28 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.304 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.55 -47.06 85.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.093 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -64.48 -37.65 88.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.063 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.49 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 71.3 t80 -54.29 -53.04 59.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.883 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.456 ' HD3' ' CE2' ' A' ' 93' ' ' PHE . 17.6 mtm180 -64.29 -37.82 88.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.0 0.428 . . . . 0.0 110.785 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -46.82 76.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.137 -175.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -69.53 -27.18 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.132 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 96' ' ' TYR . 79.2 mt -63.12 -45.25 92.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.288 175.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.611 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -61.81 -33.75 74.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.548 0.69 . . . . 0.0 110.189 176.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -69.18 -19.03 63.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.665 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.72 -16.92 27.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.79 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 117.77 2.72 16.66 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.655 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.25 116.52 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.235 0.541 . . . . 0.0 110.681 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.529 ' HB3' ' HA ' ' A' ' 122' ' ' PHE . 55.7 t80 -113.56 -26.83 8.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.437 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 1.008 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 53.1 mmm-85 -113.02 99.37 7.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.352 . . . . 0.0 110.962 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.823 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.2 t90 -91.94 101.6 14.17 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 174.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.5 t -110.85 108.09 24.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.44 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 58.8 m -104.08 105.78 16.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.68 176.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -102.59 115.58 30.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.1 mm -76.32 -23.82 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.435 -173.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -59.86 -30.8 69.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -112.73 -6.03 13.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.607 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 58.92 39.85 23.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.421 0.629 . . . . 0.0 110.341 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -119.61 143.28 47.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.012 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.406 ' HG2' ' OG1' ' A' ' 110' ' ' THR . 49.6 mtt180 -111.49 109.96 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.374 171.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -90.99 126.2 36.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.727 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -109.76 108.72 19.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.857 0.361 . . . . 0.0 110.352 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 1.008 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 63.3 m-85 -102.31 145.47 29.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.043 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.77 ' HB ' HD11 ' A' ' 127' ' ' LEU . 2.4 t -69.93 170.92 10.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.761 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.529 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 72.7 t80 -58.3 -37.12 74.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.42 -177.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.433 ' OD1' ' HE2' ' A' ' 74' ' ' LYS . 8.5 p-10 -83.72 5.8 23.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.201 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 69.95 92.24 0.09 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 111.809 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.6 t -167.55 143.91 4.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -74.61 118.95 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.958 -173.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.77 HD11 ' HB ' ' A' ' 121' ' ' THR . 83.3 mt -101.98 -56.08 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.456 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -135.26 154.25 51.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.06 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.2 m -138.25 103.24 4.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.007 0.432 . . . . 0.0 110.152 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -94.86 109.52 21.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.568 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.4 t -82.48 123.32 29.06 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.2 pt -74.77 75.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.942 0.877 . . . . 0.0 111.014 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-N 114.087 -1.415 . . . . 0.0 107.415 178.183 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -57.44 -31.87 66.34 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.499 HG13 ' HA ' ' A' ' 61' ' ' LEU . 58.3 t -59.62 -42.26 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.167 178.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.86 -46.17 97.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.257 -176.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 mp -61.19 -51.71 69.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.15 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.522 ' HB2' HD21 ' A' ' 61' ' ' LEU . 63.0 m-85 -67.1 -41.48 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.22 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 62.6 tttm -62.06 -38.17 87.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.3 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.515 HE21 ' HA ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -60.02 -35.93 76.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.446 -179.59 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.49 -45.64 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.977 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.541 ' HA ' HG12 ' A' ' 19' ' ' VAL . 84.6 m-85 -70.98 -37.59 72.72 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.146 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.555 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 10.2 m-20 -61.56 -39.15 90.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.02 0.438 . . . . 0.0 111.06 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -68.82 -52.38 30.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.067 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 16' ' ' PHE . 7.8 p -68.38 -22.83 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -171.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.619 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 34.9 ptt85 -71.66 -18.63 62.17 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.067 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -120.41 -44.54 2.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.05 0.452 . . . . 0.0 110.902 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.9 -34.51 71.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.709 -176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 92' ' ' THR . 91.9 mt 63.72 20.06 12.04 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.834 173.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -79.29 87.3 4.98 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.056 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 72.1 m-85 -72.21 -16.96 61.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.372 -177.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -59.58 -44.4 93.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.222 0.534 . . . . 0.0 109.878 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -79.95 -36.97 35.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.536 ' HB3' ' HA ' ' A' ' 25' ' ' TYR . 48.0 t80 -58.16 -57.11 14.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.367 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -71.17 -26.68 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.586 0.232 . . . . 0.0 111.215 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 38.5 t -63.31 -47.95 80.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 109.99 176.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -70.6 -36.07 73.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.937 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 73.9 mt -58.48 -44.72 89.45 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.326 176.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.486 ' HD2' ' O ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -72.45 -21.17 61.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -177.201 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 30' ' ' SER . 58.8 mtm180 -100.94 -4.47 27.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -131.02 -57.22 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.297 0.57 . . . . 0.0 110.803 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -83.21 80.22 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.936 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.455 ' HB ' ' HA ' ' A' ' 54' ' ' LYS . 45.1 t -74.96 -25.19 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 50.4 m -96.88 -82.21 0.41 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.389 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 111' ' ' ASN . 37.5 p-80 -179.8 155.21 0.62 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.655 -175.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.604 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 44.8 p90 -123.02 144.43 49.27 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.525 HG23 HG22 ' A' ' 109' ' ' VAL . 4.6 mp -112.0 116.57 52.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.367 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 1.015 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.2 t80 -100.14 114.04 27.12 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.821 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -94.08 107.93 19.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.803 0.335 . . . . 0.0 110.433 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.96 160.68 31.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.93 12.47 6.85 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.344 0.593 . . . . 0.0 110.817 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.7 m -145.45 -33.34 0.36 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.728 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.705 ' HG3' HD13 ' A' ' 67' ' ' ILE . 5.2 mm-40 71.89 19.64 4.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.41 174.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -90.97 113.36 25.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 11.3 t -110.9 113.77 45.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.96 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -104.15 102.71 12.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.745 0.307 . . . . 0.0 110.888 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.1 mp -92.05 116.16 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.183 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 38' ' ' SER . 39.8 t -94.32 111.97 26.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.4 mt -72.11 -164.57 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.375 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 0.4 OUTLIER -55.66 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.932 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -140.97 15.51 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.434 ' OD1' ' HB3' ' A' ' 54' ' ' LYS . 4.4 m-20 -85.04 -77.37 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.239 -1.346 . . . . 0.0 111.102 -169.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -159.56 173.7 15.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.67 0.272 . . . . 0.0 110.82 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.7 m -102.26 127.22 49.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.051 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.1 t -100.25 116.62 43.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.127 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.736 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.7 pt? -102.22 112.37 25.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.354 0.597 . . . . 0.0 110.718 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 12' ' ' PHE . 31.7 mt -98.36 149.83 22.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.068 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.3 pttt . . . . . 0 C--N 1.323 -0.566 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 170.33 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.705 HD13 ' HG3' ' A' ' 47' ' ' GLU . 4.3 mp . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 121.829 0.823 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 68' ' ' VAL . 7.7 p -79.12 82.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 122.189 0.995 . . . . 0.0 110.678 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -105.0 -1.54 25.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.792 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.1 t -85.41 129.36 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.736 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -110.93 147.27 35.0 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.22 84.07 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.152 0.501 . . . . 0.0 110.765 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.57 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 8.2 m -134.93 163.06 30.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.582 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -136.79 55.37 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.365 0.602 . . . . 0.0 109.512 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.535 ' OD1' ' HB3' ' A' ' 77' ' ' HIS . 27.6 t70 -108.55 102.5 11.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.797 -171.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.537 ' HA ' HD12 ' A' ' 79' ' ' ILE . 18.0 ttt-85 -66.4 -32.53 73.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.4 175.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.535 ' HB3' ' OD1' ' A' ' 75' ' ' ASP . 0.8 OUTLIER -50.99 -53.68 31.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.703 178.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 103' ' ' ALA . 40.1 tp -64.36 -35.94 82.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.486 0.184 . . . . 0.0 110.91 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 76' ' ' ARG . 67.8 mt -57.8 -55.27 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.007 0.432 . . . . 0.0 110.469 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.38 -46.37 86.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.261 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.2 m -59.01 -37.81 77.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.879 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.557 HG21 ' HB2' ' A' ' 99' ' ' ASN . 91.1 m -72.15 -38.98 69.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.247 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.446 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 17.5 t -62.14 -40.3 95.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.068 0.461 . . . . 0.0 109.858 176.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -64.93 -32.56 74.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.006 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.765 ' HD2' HD13 ' A' ' 91' ' ' ILE . 33.1 ttmt -65.37 -46.03 81.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.006 0.431 . . . . 0.0 110.256 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -67.43 -39.22 85.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.059 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.4 -20.81 64.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.904 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t -92.52 -59.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.363 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -100.31 -81.17 0.47 Allowed 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.301 -0.559 . . . . 0.0 112.216 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 170.92 -45.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.389 0.431 . . . . 0.0 111.17 -175.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.765 HD13 ' HD2' ' A' ' 85' ' ' LYS . 25.0 pt 37.2 -122.95 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.801 0.84 . . . . 0.0 112.525 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.466 ' HA ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -155.89 155.38 32.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.619 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 68.2 t80 -62.2 -34.76 77.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.98 0.419 . . . . 0.0 110.21 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -68.48 -40.77 80.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -61.81 -49.06 77.82 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.446 ' HE1' ' HA ' ' A' ' 83' ' ' SER . 52.2 t80 -56.38 -46.53 80.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.9 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -66.23 -38.98 89.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.38 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.9 ttm-85 -61.2 -46.18 91.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.443 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.557 ' HB2' HG21 ' A' ' 82' ' ' THR . 42.7 m-80 -66.96 -36.78 82.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 111.001 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.35 -49.05 79.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.047 0.451 . . . . 0.0 110.242 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.61 83.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.916 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.9 -27.27 64.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.224 0.535 . . . . 0.0 110.757 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.439 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -80.33 -9.42 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.687 178.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.57 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 105.8 8.03 35.23 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.695 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.97 101.59 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 0.0 110.43 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -98.84 -26.23 14.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.843 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.902 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 6.5 ttm180 -121.26 97.42 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.659 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 1.015 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.1 t90 -91.49 102.35 15.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.246 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 41' ' ' ILE . 31.0 t -113.32 107.69 23.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.002 0.429 . . . . 0.0 110.856 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.604 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 48.4 m -105.51 112.48 25.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.026 0.441 . . . . 0.0 110.434 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 39' ' ' HIS . 3.6 m-20 -96.75 109.49 22.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.462 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.2 mm -74.35 -31.27 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.705 176.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -67.07 -24.67 65.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.691 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -106.49 -8.14 17.21 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.706 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 54.1 40.49 31.69 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.971 0.415 . . . . 0.0 111.189 -173.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -141.93 141.54 32.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.234 0.54 . . . . 0.0 111.843 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.492 ' HG2' HG23 ' A' ' 110' ' ' THR . 60.8 mtm180 -101.81 112.55 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.773 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -98.55 128.65 44.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.279 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -113.51 110.71 20.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.902 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 82.8 m-85 -109.26 145.45 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.217 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.528 ' HB ' HD11 ' A' ' 127' ' ' LEU . 9.9 t -83.81 -179.77 7.37 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 171.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -62.33 -28.23 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.064 0.459 . . . . 0.0 110.251 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 29.4 t70 -69.39 -9.12 52.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.471 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 27.3 t-20 76.16 4.37 3.72 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.767 0.794 . . . . 0.0 110.186 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -70.98 122.56 20.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.878 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 49.2 tp -71.78 110.74 6.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.927 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.528 HD11 ' HB ' ' A' ' 121' ' ' THR . 98.0 mt -90.91 -38.77 12.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.178 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 18.9 t80 -141.62 145.11 34.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.842 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.0 m -138.63 103.05 4.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.823 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 128' ' ' PHE . 18.7 tt0 -112.4 125.68 54.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.692 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.8 t -86.41 126.23 34.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 175.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.3 pt -76.5 90.23 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.549 0.69 . . . . 0.0 110.802 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.442 HE21 ' HB2' ' A' ' 133' ' ' GLN . 1.3 mp0 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.977 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 CA--C 1.518 -0.254 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.65 -31.07 71.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.204 0.526 . . . . 0.0 110.592 -177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.19 -36.09 70.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.204 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.71 -46.8 93.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.222 -177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.533 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -62.66 -50.98 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.678 -178.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.593 ' HB3' HD11 ' A' ' 61' ' ' LEU . 23.6 m-85 -64.5 -46.08 84.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.802 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.507 ' HD2' ' O ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -63.62 -36.09 82.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.317 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.43 -29.5 69.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.351 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 11' ' ' ILE . 71.4 mt -61.85 -49.16 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.119 0.485 . . . . 0.0 109.704 176.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.482 ' HA ' HG12 ' A' ' 19' ' ' VAL . 95.9 m-85 -70.49 -33.55 71.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.529 177.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 7.2 t70 -64.87 -34.85 79.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.639 -178.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -49.99 17.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.573 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.1 p -66.5 -27.68 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.876 -174.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.501 ' HE ' ' HA ' ' A' ' 17' ' ' ASP . 46.3 ptt85 -72.29 -7.52 49.9 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.215 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -118.22 -54.12 2.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.19 -22.15 52.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.186 -173.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.2 mt 64.25 23.75 13.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 110.689 -175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -81.68 91.93 6.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.229 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.513 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 61.4 m-85 -80.64 -21.8 41.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -59.89 -52.55 64.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.063 0.459 . . . . 0.0 110.247 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -73.82 -33.39 64.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.293 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.522 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 36.9 t80 -58.96 -57.24 13.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -69.37 -26.9 64.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.32 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.599 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 24.4 t -58.5 -53.58 56.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.079 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' OE2' ' HD3' ' A' ' 34' ' ' ARG . 40.7 mm-40 -70.98 -33.33 70.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.426 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 46.3 mt -57.38 -51.3 69.97 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.558 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -70.29 -12.68 61.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.883 0.373 . . . . 0.0 111.232 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' A' ' 30' ' ' SER . 71.7 mtp180 -88.82 -23.28 22.86 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 122.126 -0.359 . . . . 0.0 111.469 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -124.34 -53.1 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.083 0.468 . . . . 0.0 110.608 -174.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -82.32 90.15 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.911 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.615 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 17.7 t -84.32 -8.4 11.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.552 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -118.59 -94.65 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.551 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -158.51 146.11 18.01 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 122.165 -0.334 . . . . 0.0 111.145 -172.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -120.14 141.92 49.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.893 0.377 . . . . 0.0 110.502 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.2 mt -106.43 106.9 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.85 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.995 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.4 t80 -93.42 107.92 19.68 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.941 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.548 ' HB2' ' HB3' ' A' ' 48' ' ' ASN . 96.3 m-85 -88.73 104.15 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 97' ' ' ARG . 5.9 mp -64.38 -27.07 68.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.47 -171.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.533 ' HB1' HG22 ' A' ' 68' ' ' VAL . . . -76.32 -10.21 59.23 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 m -138.33 -2.38 1.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.592 ' HG2' HD13 ' A' ' 67' ' ' ILE . 10.1 mm-40 55.46 34.78 23.72 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.865 0.841 . . . . 0.0 109.355 -169.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.548 ' HB3' ' HB2' ' A' ' 43' ' ' TYR . 2.8 t-20 -94.03 98.18 10.83 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.804 -176.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 t -98.17 123.89 50.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.594 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -106.88 96.48 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.31 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.561 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.4 mp -87.57 98.49 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.51 115.36 18.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.2 mt -72.46 179.66 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.42 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 83.4 tttt -68.11 -22.16 64.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.717 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -129.34 63.22 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.003 0.43 . . . . 0.0 111.297 -175.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t70 77.58 -50.04 0.52 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 165.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -58.55 140.7 53.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.057 0.456 . . . . 0.0 110.984 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.6 m -122.03 124.39 43.87 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.104 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.561 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 20.0 t -78.13 117.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 tt -102.2 107.38 18.43 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.593 HD11 ' HB3' ' A' ' 12' ' ' PHE . 51.6 mt -100.52 143.8 30.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.388 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.3 pttm . . . . . 0 C--N 1.318 -0.765 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 171.637 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.592 HD13 ' HG2' ' A' ' 47' ' ' GLU . 3.7 mp . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.533 HG22 ' HB1' ' A' ' 45' ' ' ALA . 46.8 t -75.05 86.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.425 -176.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.7 p -105.97 -3.85 21.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.106 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.75 133.83 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.266 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 21.7 mtpp -115.4 155.24 27.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.995 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -82.88 74.68 9.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.295 0.569 . . . . 0.0 109.88 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.43 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 50.5 m -133.39 166.16 23.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.549 -177.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -134.44 95.84 3.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.145 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -139.45 137.44 35.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.838 0.352 . . . . 0.0 110.148 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 76' ' ' ARG . 57.9 mtt85 -100.48 -25.54 14.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.587 -175.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 87.6 m-70 -84.51 -25.09 29.05 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.617 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.69 -35.66 81.76 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.46 -49.24 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.685 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.43 ' HB3' ' HA ' ' A' ' 77' ' ' HIS . 40.0 tt0 -56.02 -50.83 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.763 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 p -63.64 -40.78 97.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.667 0.27 . . . . 0.0 111.707 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.0 m -68.62 -36.18 78.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.79 0.328 . . . . 0.0 110.546 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t -67.74 -38.45 83.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -64.57 -37.22 86.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.105 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -66.92 -33.49 75.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.34 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.12 -40.32 94.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.046 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -74.35 -39.52 62.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.273 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.8 m -74.44 -50.9 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.39 -177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.636 ' HD2' ' HG2' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -100.49 -78.45 0.52 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.515 -0.474 . . . . 0.0 109.832 -178.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.636 ' HG2' ' HD2' ' A' ' 89' ' ' ARG . 12.7 pt-20 152.6 -31.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.631 1.173 . . . . 0.0 108.582 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.3 pt 37.83 -130.43 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.312 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.1 m -149.86 153.6 37.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.544 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 56.1 t80 -56.83 -33.05 66.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.025 0.441 . . . . 0.0 110.533 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.483 ' NE2' ' HB2' ' A' ' 20' ' ' ARG . 79.0 mm-40 -66.37 -49.31 67.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.983 177.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -58.32 -42.72 87.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.011 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.556 ' O ' HD13 ' A' ' 100' ' ' LEU . 53.1 t80 -58.93 -47.26 85.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.718 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.558 ' HB3' HD23 ' A' ' 44' ' ' LEU . 35.0 mtm180 -69.5 -35.79 75.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.771 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -56.46 -43.94 80.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.567 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -80.54 -29.99 37.12 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.246 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 96' ' ' TYR . 8.0 mp -65.67 -44.22 86.94 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.563 176.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.39 -35.69 81.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.228 0.537 . . . . 0.0 110.321 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -68.1 -26.3 65.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.494 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.66 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.073 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 115.01 5.99 19.3 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.505 -0.855 . . . . 0.0 113.302 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.4 t -77.14 112.08 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.076 0.465 . . . . 0.0 110.363 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -108.73 -30.1 8.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.167 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.781 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 83.3 mtt180 -117.28 102.99 9.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.995 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.8 t90 -87.83 93.02 9.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.166 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.8 t -102.01 102.48 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.2 m -103.33 117.41 34.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.0 0.429 . . . . 0.0 110.312 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.408 ' OD1' ' HB3' ' A' ' 113' ' ' HIS . 40.3 t-20 -106.12 105.94 16.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.424 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 112' ' ' ILE . 4.7 tp -72.08 -27.68 27.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.17 0.509 . . . . 0.0 109.694 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.408 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 54.7 t-80 -67.09 -20.53 65.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.103 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 12.2 tp10 -113.16 -9.89 13.45 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.775 -172.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 58.34 27.66 15.65 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.603 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 59.1 mttp -133.9 142.74 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 0.0 111.575 -174.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -103.26 121.04 41.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.48 172.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -104.23 108.93 20.55 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.827 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -89.85 104.71 17.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.237 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.781 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 78.3 m-85 -100.37 143.89 30.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.844 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.437 HG23 ' H ' ' A' ' 123' ' ' ASP . 14.3 t -80.29 -179.56 7.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 174.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -56.84 -35.62 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.021 0.439 . . . . 0.0 110.96 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.437 ' H ' HG23 ' A' ' 121' ' ' THR . 29.9 t70 -81.97 13.58 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.143 -177.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.2 t30 62.51 24.85 14.8 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.782 0.801 . . . . 0.0 110.652 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.8 m -94.51 131.83 39.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.685 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.5 tp -71.41 120.0 16.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.564 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.5 mt -96.67 -49.64 5.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -139.26 144.38 38.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.813 0.34 . . . . 0.0 110.51 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.1 m -126.31 123.32 37.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.065 177.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -130.14 145.61 51.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.825 0.345 . . . . 0.0 110.354 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.5 p -100.24 126.6 46.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.014 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 22.6 pt -85.39 -1.52 6.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.501 0.667 . . . . 0.0 110.157 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 169.605 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.445 ' OD1' ' HB ' ' A' ' 9' ' ' VAL . 9.6 t70 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.88 -21.9 64.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.436 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.445 ' HB ' ' OD1' ' A' ' 7' ' ' ASP . 58.3 t -64.57 -36.95 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.234 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 68.9 t -60.71 -43.0 94.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.949 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.93 -53.43 46.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.206 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.644 ' HB2' HD21 ' A' ' 61' ' ' LEU . 60.3 m-85 -68.68 -41.87 78.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.557 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -63.53 -33.43 75.57 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 3.9 tp-100 -59.88 -44.67 94.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.159 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.24 -52.25 58.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.932 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -66.15 -37.02 84.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 0.0 111.463 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.57 -39.64 67.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.678 0.275 . . . . 0.0 110.892 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -70.77 -38.33 73.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.3 -23.39 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.115 0.484 . . . . 0.0 110.033 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 20' ' ' ARG . 2.3 tmm_? -70.29 -19.21 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.124 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -96.47 -56.22 2.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.335 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.63 -35.67 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.066 -176.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.3 mt 61.51 27.47 16.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.703 0.763 . . . . 0.0 109.528 -170.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -84.27 83.72 7.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.738 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -68.77 -27.81 66.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.73 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -64.01 -51.82 62.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.422 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -67.65 -39.07 84.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.571 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.443 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 35.3 t80 -50.73 -56.53 11.57 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.469 0.481 . . . . 0.0 111.41 -177.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -73.64 -17.0 61.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.4 m -76.34 -47.81 22.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.919 0.39 . . . . 0.0 110.002 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.73 -40.49 88.37 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.817 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 46.3 mt -56.11 -51.92 66.18 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.32 174.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HG2' ' CG2' ' A' ' 112' ' ' ILE . 9.7 mtmp? -72.78 0.85 9.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -95.9 -21.75 17.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.985 0.421 . . . . 0.0 110.117 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -120.43 -59.36 1.77 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.369 0.604 . . . . 0.0 110.191 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -90.76 91.88 8.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.465 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -89.35 5.43 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.607 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.441 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 28.9 t -112.6 -91.93 0.48 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.921 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.441 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 52.0 p-80 -168.11 158.51 10.34 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.767 0.318 . . . . 0.0 111.323 -175.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.485 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 47.6 p90 -139.86 149.29 43.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.341 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.451 HG23 HG22 ' A' ' 109' ' ' VAL . 4.5 mp -116.43 114.09 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.776 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.4 OUTLIER -97.59 114.57 26.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.023 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -88.3 107.39 18.79 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.449 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 108' ' ' TRP . 6.8 mp -66.66 145.83 55.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.13 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 68' ' ' VAL . . . 77.63 -39.88 0.31 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.387 0.675 . . . . 0.0 110.793 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.412 HG22 HD22 ' A' ' 48' ' ' ASN . 6.2 m -77.58 -30.05 52.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 59.61 23.64 12.39 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.548 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.471 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.7 m-80 -103.36 110.2 22.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.941 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.5 t -100.47 128.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.695 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -110.04 107.11 16.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.839 0.352 . . . . 0.0 110.29 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.458 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.5 mp -104.29 112.51 38.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.109 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.548 HG22 HG23 ' A' ' 58' ' ' THR . 13.9 t -98.18 115.28 37.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.543 HD12 ' HB3' ' A' ' 57' ' ' ASN . 77.5 mt -74.15 167.06 22.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.45 . . . . 0.0 110.549 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -67.83 -18.15 64.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.349 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -120.89 59.26 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.785 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.6 t70 79.44 -53.19 0.42 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.902 -1.045 . . . . 0.0 113.178 167.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.543 ' HB3' HD12 ' A' ' 53' ' ' LEU . 45.5 t30 -54.44 131.32 42.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.327 0.584 . . . . 0.0 112.345 -173.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.548 HG23 HG22 ' A' ' 52' ' ' VAL . 28.4 m -122.34 114.61 21.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.812 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 t -100.09 141.72 16.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.237 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.0 pt? -123.84 117.96 26.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.193 0.52 . . . . 0.0 110.594 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 12' ' ' PHE . 31.1 mt -93.16 101.69 13.99 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.409 ' HG2' ' OD1' ' A' ' 48' ' ' ASN . 25.3 mtpp . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.42 HD13 HE22 ' A' ' 94' ' ' GLN . 50.5 mt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.463 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . 39.9 t 49.47 84.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.748 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.46 ' OG ' ' HG3' ' A' ' 98' ' ' ARG . 5.0 m -105.92 -18.1 14.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.682 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 61.2 t -58.94 128.95 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.641 -173.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -119.69 155.45 32.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.196 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -79.34 79.53 5.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.356 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 m -149.78 175.04 11.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.458 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 52.1 pttt -151.29 96.03 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.364 0.602 . . . . 0.0 111.112 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -131.25 131.5 43.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.029 0.443 . . . . 0.0 111.158 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 127' ' ' LEU . 68.1 mtm180 -96.08 -13.96 23.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.135 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -70.34 -50.53 38.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.144 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' A' ' 103' ' ' ALA . 58.7 tp -58.56 -33.65 70.17 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.736 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 76' ' ' ARG . 74.1 mt -61.1 -48.26 89.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.252 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.82 -45.52 85.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.397 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 m -55.52 -47.57 76.03 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.025 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 99' ' ' ASN . 21.6 m -69.31 -33.07 72.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.253 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.2 m -69.43 -36.81 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.97 0.415 . . . . 0.0 110.588 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.42 -33.0 70.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.876 0.846 . . . . 0.0 108.736 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -66.53 -40.51 89.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.26 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 25.2 tp -69.86 -23.29 63.25 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.752 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -83.79 -45.58 13.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.099 0.476 . . . . 0.0 110.327 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.3 t -77.73 -55.95 4.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.333 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' H ' ' A' ' 91' ' ' ILE . 77.7 mtp180 -92.48 -30.27 15.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.628 0.251 . . . . 0.0 110.792 -176.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.621 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 44.9 mt-10 73.63 -28.9 0.19 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.599 0.759 . . . . 0.0 112.093 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.408 ' H ' ' C ' ' A' ' 89' ' ' ARG . 8.4 pt 34.21 -109.27 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 174.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 94' ' ' GLN . 17.2 m -151.88 140.58 20.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -59.4 -30.59 68.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 0.0 111.346 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.425 ' H ' HG22 ' A' ' 92' ' ' THR . 44.9 tp60 -58.8 -52.72 64.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.728 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.19 -34.14 75.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.053 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.468 ' HD1' HG22 ' A' ' 82' ' ' THR . 67.8 t80 -56.3 -52.6 63.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.112 0.482 . . . . 0.0 110.306 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 97' ' ' ARG . 22.5 ttp85 -67.75 -32.09 72.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.727 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.46 ' HG3' ' OG ' ' A' ' 69' ' ' SER . 26.7 ttp180 -66.74 -42.05 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.776 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.532 ' HB2' HG21 ' A' ' 82' ' ' THR . 6.8 m-20 -64.96 -41.59 95.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.11 -40.74 98.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -60.1 -38.11 81.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.037 0.446 . . . . 0.0 110.665 177.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -70.63 -28.93 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.673 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.55 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -77.18 -12.95 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.326 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.8 -0.88 12.1 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.068 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 82.7 t -75.47 105.06 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.161 0.505 . . . . 0.0 110.288 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -105.5 -30.61 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.724 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 41.4 mtp180 -120.27 104.09 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.273 0.559 . . . . 0.0 110.793 -175.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.776 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 4.6 t-105 -87.43 96.14 10.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.543 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.451 HG22 HG23 ' A' ' 41' ' ' ILE . 48.7 t -106.31 103.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.0 0.429 . . . . 0.0 110.85 -178.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.485 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 70.1 m -101.64 111.81 24.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 58.3 t30 -95.22 102.09 13.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.319 0.581 . . . . 0.0 109.449 178.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.484 ' CG2' ' HG2' ' A' ' 33' ' ' LYS . 43.2 mm -61.31 -40.67 86.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.28 -173.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -66.04 -24.41 66.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.403 ' HG3' ' ND2' ' A' ' 111' ' ' ASN . 49.8 mt-10 -103.07 -2.72 27.01 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.524 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 55.66 39.82 30.9 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.536 0.523 . . . . 0.0 110.948 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -136.35 137.84 41.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.92 0.391 . . . . 0.0 111.682 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -100.65 121.37 41.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.248 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -106.44 113.02 26.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.775 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -96.89 108.06 20.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.717 0.294 . . . . 0.0 110.579 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.629 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 93.9 m-85 -100.54 142.93 31.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.498 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.689 ' HB ' HD11 ' A' ' 127' ' ' LEU . 10.1 t -84.71 -179.11 7.05 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.763 175.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -60.11 -31.24 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.02 8.55 37.14 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.074 -176.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 80.49 12.39 0.93 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.553 0.741 . . . . 0.0 111.793 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.0 m -75.41 132.12 40.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.779 -0.575 . . . . 0.0 109.857 173.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.4 tp -75.6 115.64 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.689 HD11 ' HB ' ' A' ' 121' ' ' THR . 93.7 mt -91.5 -77.15 0.43 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.023 0.44 . . . . 0.0 110.643 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -111.01 142.77 42.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -174.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.7 m -144.61 126.67 15.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.043 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.81 174.57 10.47 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.391 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 m -118.07 116.95 27.91 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.44 0.462 . . . . 0.0 110.261 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.9 pt -67.4 115.62 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.34 0.591 . . . . 0.0 110.212 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.813 -173.493 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.513 ' HA ' HD13 ' A' ' 11' ' ' ILE . 5.5 tp-100 -55.65 -24.37 33.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.298 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.6 t -57.14 -39.29 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.83 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.38 -40.02 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.752 0.31 . . . . 0.0 110.801 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 8' ' ' GLN . 3.1 mp -62.62 -57.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.67 -178.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.633 ' HB3' HD11 ' A' ' 61' ' ' LEU . 57.7 m-85 -66.93 -41.35 87.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.614 -176.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.89 -38.77 86.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.629 0.252 . . . . 0.0 110.526 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -59.29 -41.15 88.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.071 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.797 HG22 ' HD1' ' A' ' 28' ' ' PHE . 35.1 mt -64.07 -48.73 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.645 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.478 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 35.0 m-85 -65.52 -47.64 75.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.956 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.702 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -65.82 -30.46 71.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.602 0.239 . . . . 0.0 111.191 -179.064 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.51 -55.44 20.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.2 p -65.33 -27.23 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.685 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.702 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 20.9 mtp180 -54.47 -44.4 72.55 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -104.01 -35.25 8.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.771 0.32 . . . . 0.0 111.437 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 12.5 t70 -79.29 -30.69 43.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.145 -172.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 93' ' ' PHE . 80.5 mt 68.25 36.76 3.02 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.703 0.763 . . . . 0.0 109.383 -169.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.14 57.68 2.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.532 -177.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -63.47 -35.31 80.02 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -174.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -60.43 -52.03 66.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.275 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.423 ' CH2' HG12 ' A' ' 15' ' ' ILE . 24.7 t90 -72.09 -38.23 69.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.359 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.797 ' HD1' HG22 ' A' ' 15' ' ' ILE . 54.6 t80 -58.59 -52.54 65.22 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.92 -23.97 66.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.666 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 m -79.43 -48.2 14.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.076 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -67.64 -33.73 75.55 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.344 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.454 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 52.7 mt -62.51 -47.71 82.75 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -69.35 -12.89 62.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.204 0.526 . . . . 0.0 110.762 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -46.81 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.213 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -105.91 -44.16 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.476 -171.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -81.21 79.96 7.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.384 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -75.13 -17.75 16.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.284 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 m -108.47 -85.93 0.52 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -170.87 151.31 3.35 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 122.298 -0.251 . . . . 0.0 110.924 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 37.1 p90 -125.2 146.84 49.33 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.739 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.6 mp -110.51 116.61 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.208 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.897 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 19.2 t80 -103.39 112.4 25.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.87 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD1' ' HD2' ' A' ' 107' ' ' ARG . 97.4 m-85 -84.17 115.36 22.38 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.17 156.07 39.32 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.298 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.61 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 73.33 -53.18 0.7 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.559 0.744 . . . . 0.0 111.297 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 m -76.89 -21.71 54.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.442 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 56.12 30.16 15.9 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.969 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -93.43 117.78 30.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.969 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.667 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 4.1 t -110.94 124.41 67.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.615 0.245 . . . . 0.0 110.767 -175.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.45 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 22.8 m170 -112.59 97.67 6.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.844 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.575 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.3 mp -85.69 101.7 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.4 t -86.01 112.71 22.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.785 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -72.62 -172.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.037 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -76.7 65.22 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.084 0.469 . . . . 0.0 110.834 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.1 t30 82.24 9.26 0.8 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.702 165.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -92.63 -71.58 0.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.648 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -146.53 174.9 10.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.823 0.344 . . . . 0.0 110.206 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.1 m -114.76 129.35 56.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.298 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.575 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 54.5 t -87.52 121.82 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 176.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.45 ' HG ' ' CD2' ' A' ' 50' ' ' HIS . 3.1 tt -104.35 115.27 30.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.032 -174.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.667 ' HB2' ' HB ' ' A' ' 49' ' ' VAL . 46.7 mt -105.36 164.84 11.55 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.11 0.481 . . . . 0.0 110.685 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.765 176.599 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 56.3 mt . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 121.665 0.745 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.32 87.16 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.12 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.0 m -110.1 7.66 23.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.575 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.512 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 95.4 t -73.28 127.52 35.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.336 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -113.92 145.81 40.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.256 -174.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -69.63 89.36 0.53 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.261 0.553 . . . . 0.0 110.295 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.545 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 28.1 t -153.89 162.29 41.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.517 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -135.09 66.02 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -103.68 102.74 12.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.405 0.621 . . . . 0.0 111.031 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 76' ' ' ARG . 44.0 ttt180 -73.9 -23.57 59.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.082 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -75.45 -40.83 57.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.845 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.25 -37.38 85.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.413 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.45 -48.3 85.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -56.32 -47.38 78.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.889 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.2 m -63.37 -37.41 87.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.421 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.8 m -63.54 -44.28 94.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.699 0.285 . . . . 0.0 110.41 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -59.98 -36.76 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.356 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -68.82 -31.05 69.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.362 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -68.93 -41.05 78.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.902 0.382 . . . . 0.0 110.451 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 tp -72.95 -30.79 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 109.885 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -71.95 -42.78 66.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.168 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.5 m -84.63 -51.47 6.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.094 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.61 ' O ' ' HB3' ' A' ' 90' ' ' GLU . 16.0 tpp180 -100.32 -79.11 0.5 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.929 -172.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.61 ' HB3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER 161.86 -38.05 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.589 0.756 . . . . 0.0 110.061 174.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.8 pt 40.01 -131.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.805 0.842 . . . . 0.0 112.032 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.455 ' HB ' ' OE1' ' A' ' 95' ' ' GLU . 39.9 m -149.49 148.19 29.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.47 ' HB2' HD23 ' A' ' 23' ' ' LEU . 17.0 t80 -63.35 -30.8 71.87 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 -174.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 98' ' ' ARG . 27.7 tt0 -57.68 -51.9 67.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.07 173.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.455 ' OE1' ' HB ' ' A' ' 92' ' ' THR . 4.2 mp0 -67.35 -28.78 68.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.491 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -59.62 -52.31 66.08 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.536 ' HA ' HD12 ' A' ' 100' ' ' LEU . 85.3 mtt180 -72.38 -28.33 62.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.074 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 94' ' ' GLN . 36.8 ttt180 -61.39 -48.62 80.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.321 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -72.37 -29.34 63.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.969 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 97' ' ' ARG . 57.8 mt -63.05 -41.24 99.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.524 174.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB1' ' HA ' ' A' ' 70' ' ' VAL . . . -62.64 -35.78 80.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.313 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -69.99 -26.65 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.822 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.21 -20.96 47.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.545 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 111.67 10.25 19.52 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.609 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.4 t -76.57 115.41 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.124 0.487 . . . . 0.0 109.909 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -107.55 -26.48 10.88 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.297 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.452 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -118.82 112.78 20.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.09 0.471 . . . . 0.0 111.439 -178.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.897 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 10.2 t-105 -94.77 98.24 10.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.737 173.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.3 t -111.5 104.14 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.064 0.459 . . . . 0.0 110.721 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.612 HG23 ' HG2' ' A' ' 117' ' ' ARG . 55.9 m -99.07 104.1 16.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.156 0.503 . . . . 0.0 110.676 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -90.39 94.04 9.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.3 tp -77.07 -17.05 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.883 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.73 -28.59 69.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.581 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -107.19 -5.93 17.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.602 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 59.52 47.97 10.26 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.504 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -139.45 133.4 30.92 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.783 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.612 ' HG2' HG23 ' A' ' 110' ' ' THR . 42.0 mtm180 -100.74 117.87 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.267 176.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -100.57 135.6 41.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -177.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.433 ' HE1' ' CZ3' ' A' ' 108' ' ' TRP . 90.4 m-85 -117.0 116.68 27.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.602 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -116.36 137.55 52.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.355 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.891 ' HB ' HD11 ' A' ' 127' ' ' LEU . 12.6 t -80.47 -178.62 6.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 171.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -59.95 -29.38 68.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.991 0.36 . . . . 0.0 111.4 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.435 ' H ' HG23 ' A' ' 121' ' ' THR . 2.7 m-20 -63.78 -16.63 61.68 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 176.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.9 t30 71.53 17.82 5.57 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.906 0.86 . . . . 0.0 109.654 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.3 t -82.93 137.89 34.04 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.406 174.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.53 112.88 4.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.384 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.891 HD11 ' HB ' ' A' ' 121' ' ' THR . 96.4 mt -90.58 -54.5 3.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.006 177.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -141.75 159.64 41.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.561 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.9 m -146.26 112.81 5.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.359 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 117' ' ' ARG . 53.3 mt-10 -92.41 108.3 19.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 177.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.7 m -84.38 111.16 19.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.794 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.8 pt -92.89 120.39 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.469 0.652 . . . . 0.0 111.402 -174.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.727 HE21 ' HA ' ' A' ' 133' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.401 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 120.582 0.23 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.69 -31.1 72.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.637 -175.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.55 -34.88 59.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.838 0.351 . . . . 0.0 110.401 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 61.5 t -61.99 -41.78 92.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.019 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.4 mp -64.07 -53.74 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.632 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.585 ' HB3' HD11 ' A' ' 61' ' ' LEU . 70.7 m-85 -65.45 -43.34 90.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.551 -176.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HA ' HD13 ' A' ' 61' ' ' LEU . 57.8 tttp -60.68 -42.21 96.67 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.49 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 4.0 tp-100 -59.13 -40.09 84.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -176.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.475 HG22 ' HD1' ' A' ' 28' ' ' PHE . 64.8 mt -63.11 -54.63 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.843 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.465 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 63.4 m-85 -65.15 -37.23 86.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.196 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -69.7 -22.3 63.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.558 -178.029 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -86.65 -41.91 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 111.294 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.23 -20.51 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 16' ' ' PHE . 62.7 mtt180 -65.07 -32.24 73.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.497 176.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -105.9 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.57 -28.33 45.89 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.086 -172.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 93' ' ' PHE . 71.9 mt 63.98 31.73 13.51 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.177 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -86.55 83.54 7.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.531 0.682 . . . . 0.0 110.944 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.476 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 83.6 m-85 -74.66 -23.52 58.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.82 -178.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -59.94 4.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -68.53 -35.56 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.304 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 61.0 t80 -56.9 -56.89 15.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.727 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -72.37 -22.41 61.15 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -177.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.4 m -64.18 -51.21 64.89 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.694 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.97 -30.54 69.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.155 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 73.2 mt -60.59 -56.31 22.86 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.324 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.76 -19.22 64.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.062 0.458 . . . . 0.0 111.509 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -97.1 -4.66 38.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -131.57 -60.89 0.92 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.196 0.522 . . . . 0.0 110.813 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -93.97 94.13 8.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.552 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 t -88.83 5.34 4.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.706 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 m -110.61 -88.39 0.51 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.144 -0.348 . . . . 0.0 111.883 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -170.1 160.43 8.08 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.583 0.23 . . . . 0.0 111.039 -175.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.488 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 50.0 p90 -136.66 146.38 45.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 174.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.21 113.75 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.185 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.761 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 4.0 t80 -96.45 115.55 27.62 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.672 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -90.61 119.16 30.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.248 0.547 . . . . 0.0 110.758 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 97' ' ' ARG . 96.0 mt -88.28 103.18 15.55 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.767 -175.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . 151.47 -69.45 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 125.223 1.577 . . . . 0.0 108.497 -176.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.2 p -83.18 -13.49 55.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 62.37 30.32 17.37 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.1 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -86.31 109.29 18.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.186 178.517 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.39 115.21 33.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.93 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -99.56 98.4 9.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mp -90.31 110.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.292 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -91.78 101.63 12.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.49 164.49 21.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.885 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -67.74 -18.93 65.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.343 0.592 . . . . 0.0 110.521 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 24.4 t-20 -82.7 5.84 19.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.707 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 35.0 t70 77.42 -15.21 0.77 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.894 0.878 . . . . 0.0 111.257 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -65.36 106.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.369 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 m -87.88 116.47 26.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 t -100.18 111.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.471 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.768 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.1 pt? -96.58 121.89 38.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.24 0.543 . . . . 0.0 110.555 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 12' ' ' PHE . 28.7 mt -103.89 105.42 15.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.484 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.0 pttt . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 171.777 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.4 mm . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.7 p -83.37 90.94 2.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.048 0.928 . . . . 0.0 111.721 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.5 p -111.61 8.3 20.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.328 172.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.472 HG22 ' HB1' ' A' ' 101' ' ' ALA . 19.6 t -84.77 135.5 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.447 -176.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -115.85 158.46 22.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.193 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -77.2 81.9 3.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.339 0.59 . . . . 0.0 110.131 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.526 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 57.6 m -155.7 166.26 34.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.703 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HB2' HD21 ' A' ' 127' ' ' LEU . 50.5 pttt -146.13 87.1 1.73 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.577 0.703 . . . . 0.0 109.666 173.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -118.86 118.72 32.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.884 -174.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -78.73 -27.56 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.532 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -66.74 -38.56 86.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.702 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.4 tp -64.29 -43.35 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.23 -51.08 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.218 0.532 . . . . 0.0 109.722 175.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -53.54 -44.04 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.745 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -69.87 -36.86 75.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.848 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.9 m -67.65 -38.73 84.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.9 m -59.62 -45.61 91.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.003 0.43 . . . . 0.0 110.44 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 87' ' ' LYS . 64.0 t30 -70.79 -29.09 65.18 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.417 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -63.87 -42.47 97.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.174 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 38.9 tp -68.49 -36.28 78.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.959 175.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 22.9 tptm -62.51 -52.81 62.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.415 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.5 m -82.97 -55.25 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -95.08 -22.89 17.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -171.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 45.7 mt-10 73.72 -40.93 0.47 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.272 0.629 . . . . 0.0 112.273 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 95' ' ' GLU . 29.8 pt 43.44 -148.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.498 0.719 . . . . 0.0 111.419 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.48 ' HB ' ' OE2' ' A' ' 95' ' ' GLU . 50.9 m -119.8 150.31 40.63 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 171.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.518 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 9.9 t80 -57.87 -22.93 50.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.761 0.315 . . . . 0.0 111.172 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.411 ' HB2' ' OE2' ' A' ' 95' ' ' GLU . 12.5 mm-40 -62.52 -55.64 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' OE2' ' HB ' ' A' ' 92' ' ' THR . 2.4 mp0 -63.33 -36.85 85.08 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.701 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -56.35 -47.92 77.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.798 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.597 ' HB3' HD22 ' A' ' 44' ' ' LEU . 55.0 mtm-85 -75.29 -22.07 58.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.926 0.393 . . . . 0.0 110.891 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.647 ' HA ' ' HE ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -80.12 -34.99 37.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.991 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -37.04 84.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 110.202 175.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.93 -38.61 89.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.481 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -63.74 -30.63 71.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.959 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.25 -30.44 67.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.086 0.469 . . . . 0.0 110.605 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.32 57.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.611 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 95.77 7.79 58.61 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.728 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.72 115.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.034 0.445 . . . . 0.0 110.024 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -115.03 -24.45 8.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.549 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.623 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 41.7 ttm180 -121.64 103.51 8.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.241 0.543 . . . . 0.0 110.877 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.761 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.5 t90 -96.51 106.67 18.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.273 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 107' ' ' ARG . 48.4 t -110.04 104.87 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.781 0.324 . . . . 0.0 111.104 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 41.5 m -92.48 114.9 27.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 174.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -94.14 107.61 19.53 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.5 mm -64.95 -47.88 86.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -72.93 -27.61 61.95 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.332 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -91.35 -10.56 40.78 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.494 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 64.45 35.49 9.49 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.82 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.59 154.62 47.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.98 0.419 . . . . 0.0 111.766 -176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.519 ' HB2' ' HG2' ' A' ' 130' ' ' GLU . 86.2 mtt180 -113.59 114.87 27.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.369 170.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.453 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 75.6 m-85 -97.73 113.58 25.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.529 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -97.61 105.25 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.342 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.623 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 92.3 m-85 -103.14 141.0 36.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.979 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.492 ' HB ' HD11 ' A' ' 127' ' ' LEU . 9.7 t -80.16 171.05 15.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.481 175.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -66.55 -10.33 44.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.843 0.354 . . . . 0.0 111.417 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.459 ' H ' HG23 ' A' ' 121' ' ' THR . 25.1 t70 -95.76 13.22 27.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.099 0.476 . . . . 0.0 110.64 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 73.2 4.74 4.97 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.139 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.6 t -88.23 146.11 25.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.846 0.355 . . . . 0.0 110.577 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 62.6 tp -85.84 124.83 32.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.132 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 74' ' ' LYS . 84.6 mt -103.73 -47.13 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.465 -178.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -140.72 149.69 42.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.495 -174.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 54.6 m -147.54 120.0 8.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.218 176.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.519 ' HG2' ' HB2' ' A' ' 117' ' ' ARG . 14.3 pt-20 -115.27 174.3 6.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.016 178.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.4 m -127.61 129.21 46.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.293 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.5 pt -94.96 30.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -172.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 121.258 0.551 . . . . 0.0 110.75 177.547 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 N--CA 1.461 0.109 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.553 ' HA ' HD13 ' A' ' 11' ' ' ILE . 7.0 tp60 -56.02 -29.29 60.16 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.659 0.384 . . . . 0.0 111.71 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.2 t -56.49 -36.84 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 121.141 0.496 . . . . 0.0 110.655 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 57.4 t -66.42 -47.21 84.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' A' ' 8' ' ' GLN . 3.2 mp -57.29 -51.55 68.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.686 ' HB3' HD11 ' A' ' 61' ' ' LEU . 25.6 m-85 -63.58 -38.96 93.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.383 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 1.3 ttmm -60.01 -46.06 90.72 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.353 176.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 10' ' ' VAL . 80.1 mm-40 -57.71 -35.73 71.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.058 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.59 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 78.7 mt -61.46 -57.31 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.724 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -68.4 -35.66 78.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.345 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -74.66 -15.44 60.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.191 -175.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -87.01 -50.01 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 0.0 110.121 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.73 ' HB ' ' HE1' ' A' ' 27' ' ' TRP . 12.4 p -71.89 -24.13 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -173.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.516 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 13.3 ptm180 -58.48 -25.02 61.87 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.46 -45.83 3.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.651 0.262 . . . . 0.0 111.62 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -76.84 -22.61 53.31 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -172.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.404 HD21 ' H ' ' A' ' 93' ' ' PHE . 96.4 mt 62.57 17.3 9.53 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.289 0.368 . . . . 0.0 111.908 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.477 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 13.5 p-10 -80.27 75.67 7.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.365 0.602 . . . . 0.0 110.224 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -59.24 -29.47 67.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.746 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -32.15 65.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.73 ' HE1' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -79.02 -41.31 29.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.44 0.638 . . . . 0.0 109.936 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.451 ' CE2' HD11 ' A' ' 32' ' ' LEU . 46.7 t80 -77.98 -40.23 39.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.221 -167.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.44 ' HA ' HD12 ' A' ' 32' ' ' LEU . 56.4 m-85 -69.01 -21.92 64.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.022 0.439 . . . . 0.0 110.471 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.8 m -71.91 -47.43 52.65 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 171.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.45 -42.61 74.49 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 28' ' ' PHE . 93.4 mt -57.56 -57.48 12.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.216 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.41 -29.9 70.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.031 0.444 . . . . 0.0 110.844 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 34' ' ' ARG . 15.5 mmm-85 -71.91 -47.58 51.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.932 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -108.46 -53.69 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.067 0.461 . . . . 0.0 111.121 -168.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -89.33 79.56 7.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.402 0.62 . . . . 0.0 110.402 -177.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.41 -19.13 19.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.426 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.566 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 17.6 t -103.2 -86.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.514 -175.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -171.21 153.03 3.54 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.488 0.185 . . . . 0.0 110.76 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.524 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 43.1 p90 -124.08 144.66 49.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.378 . . . . 0.0 110.576 176.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.0 mt -115.73 109.06 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.071 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.773 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.6 OUTLIER -99.24 109.98 22.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.129 -176.391 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -88.72 113.17 23.99 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.82 -35.33 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . -67.34 -38.94 85.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.8 p -100.08 -6.76 25.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.539 ' OE2' HG13 ' A' ' 67' ' ' ILE . 46.8 mt-10 59.45 20.58 8.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.16 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 95.8 m-20 -86.03 116.37 24.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.2 0.524 . . . . 0.0 110.647 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.0 t -99.66 106.98 19.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.836 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -91.57 93.21 8.84 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.544 -0.098 . . . . 0.0 110.988 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.49 102.56 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.566 ' O ' ' HB3' ' A' ' 38' ' ' SER . 14.0 t -87.98 114.05 26.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.7 mt -79.8 168.68 18.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.53 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -81.4 -3.86 54.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.729 0.776 . . . . 0.0 109.422 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -101.81 25.96 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.509 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 t70 76.46 -32.4 0.2 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.342 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.48 126.68 28.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.909 0.385 . . . . 0.0 111.764 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.5 m -103.88 113.12 26.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.57 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.7 t -90.35 103.25 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -99.63 122.5 42.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.575 0.703 . . . . 0.0 110.79 -178.166 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.686 HD11 ' HB3' ' A' ' 12' ' ' PHE . 8.8 mt -110.13 -175.23 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.866 -176.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 66.0 mttm . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.288 167.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.604 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 70.3 mt . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.306 0.574 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 t -86.55 24.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.993 0.902 . . . . 0.0 109.675 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.3 m -98.61 11.92 36.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.242 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.447 HG22 ' HB1' ' A' ' 101' ' ' ALA . 80.3 t -66.27 134.5 29.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.183 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 75.3 mmtt -85.87 134.71 33.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.092 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -80.2 80.76 6.58 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.5 m -138.43 171.62 14.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.168 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.5 ' HG2' HG21 ' A' ' 121' ' ' THR . 96.3 mttt -141.9 78.38 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -134.83 131.73 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.514 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.457 ' CG ' ' HD1' ' A' ' 128' ' ' PHE . 33.0 ttp180 -92.84 -18.16 23.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.342 178.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -65.18 -42.22 93.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.014 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 26.3 tp -65.6 -37.98 88.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.882 0.372 . . . . 0.0 110.339 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.96 -49.61 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.306 0.574 . . . . 0.0 109.682 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -54.95 -47.47 74.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.023 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.4 m -65.46 -39.19 91.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.969 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.5 m -70.27 -36.2 74.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.975 0.417 . . . . 0.0 110.451 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.0 t -66.21 -40.4 90.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.737 175.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.31 -46.56 88.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.012 175.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -62.65 -40.06 95.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.33 -35.24 79.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -72.34 -39.88 67.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.815 0.341 . . . . 0.0 111.461 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.2 m -89.55 -32.11 17.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -175.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -100.42 -33.14 10.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 59.81 74.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.88 0.848 . . . . 0.0 109.014 -168.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 37.3 pt -87.63 166.8 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.008 -176.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -64.61 139.66 58.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.16 176.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.491 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 30.7 t80 -55.89 -30.61 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.06 0.457 . . . . 0.0 111.05 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -63.33 -41.55 98.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.297 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -40.09 70.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.443 0.64 . . . . 0.0 109.686 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -55.69 -44.46 77.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.391 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.54 ' HA ' HD12 ' A' ' 100' ' ' LEU . 25.1 mtp85 -73.57 -28.04 61.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.678 -177.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 71.8 mtt-85 -59.43 -47.99 83.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.982 0.42 . . . . 0.0 110.728 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.558 ' HA ' ' HD2' ' A' ' 102' ' ' LYS . 48.6 m-80 -74.47 -24.65 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.956 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 97' ' ' ARG . 71.0 mt -63.0 -43.93 97.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.888 0.375 . . . . 0.0 110.201 171.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -63.7 -30.43 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.67 176.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HD2' ' HA ' ' A' ' 99' ' ' ASN . 95.3 mttt -71.05 -29.37 65.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.753 177.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.412 ' HB2' ' HB3' ' A' ' 78' ' ' LEU . . . -82.07 -10.25 59.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 121' ' ' THR . . . 103.11 9.42 39.38 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.779 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.1 t -72.73 99.79 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.312 0.577 . . . . 0.0 110.148 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.445 ' HE1' ' HB3' ' A' ' 45' ' ' ALA . 49.7 t80 -97.32 -31.13 12.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.889 -177.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.69 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 42.4 ttm180 -124.01 104.92 9.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.219 0.533 . . . . 0.0 111.132 -173.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.773 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 3.6 t-105 -92.85 109.39 20.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.341 177.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.4 t -111.64 128.32 68.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.687 0.28 . . . . 0.0 110.58 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.524 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 57.7 m -127.34 112.1 14.64 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.961 0.41 . . . . 0.0 110.494 175.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.415 ' HB2' ' HB2' ' A' ' 114' ' ' GLU . 15.0 m120 -95.16 111.35 23.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.352 178.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.6 mm -65.28 -56.57 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.132 -172.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -79.47 9.24 5.04 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.235 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 56.1 mm-40 -109.52 -20.53 12.84 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 64.11 39.61 7.57 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.288 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -131.95 148.42 52.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.972 0.415 . . . . 0.0 111.737 -176.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.447 ' NH2' ' HG2' ' A' ' 130' ' ' GLU . 15.7 mtm180 -121.28 112.43 18.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -101.66 126.15 48.45 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.942 0.401 . . . . 0.0 110.406 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -104.72 103.45 13.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.145 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.69 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 94.8 m-85 -104.21 143.55 32.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.066 0.46 . . . . 0.0 110.988 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.5 HG21 ' HG2' ' A' ' 74' ' ' LYS . 10.1 t -82.3 -178.71 7.15 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 172.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -61.3 -21.3 63.82 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.124 0.488 . . . . 0.0 111.383 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.488 ' H ' HG23 ' A' ' 121' ' ' THR . 34.8 t70 -97.44 21.2 10.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.273 0.558 . . . . 0.0 110.323 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.444 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 2.3 p-10 49.4 25.17 1.23 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.413 1.085 . . . . 0.0 112.236 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.441 ' HB2' HG22 ' A' ' 121' ' ' THR . 5.1 m -77.66 125.28 29.09 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -70.67 110.77 5.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.274 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.5 HD11 ' HB ' ' A' ' 121' ' ' THR . 89.6 mt -91.01 -56.44 3.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.764 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.457 ' HD1' ' CG ' ' A' ' 76' ' ' ARG . 24.2 t80 -124.96 145.38 49.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -176.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.7 m -131.54 107.52 8.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.957 0.408 . . . . 0.0 110.341 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.447 ' HG2' ' NH2' ' A' ' 117' ' ' ARG . 7.5 tp10 -112.4 153.8 26.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.881 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.6 t -122.37 127.97 50.4 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 133' ' ' GLN . 13.8 pt -86.85 50.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.796 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.444 ' HB3' ' O ' ' A' ' 132' ' ' ILE . 6.6 tp-100 . . . . . 0 N--CA 1.465 0.305 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.233 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 N--CA 1.462 0.164 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -56.58 -37.67 70.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 110.797 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.39 -33.92 52.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.967 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.8 t -68.32 -38.84 80.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.13 -50.18 81.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.044 0.45 . . . . 0.0 110.519 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.564 ' HB2' HD21 ' A' ' 61' ' ' LEU . 76.8 m-85 -68.09 -43.24 78.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.336 -178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -62.82 -32.88 74.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.523 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -59.75 -42.98 94.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.304 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.34 -52.25 60.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.246 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.495 ' HA ' HG12 ' A' ' 19' ' ' VAL . 81.8 m-85 -66.72 -29.53 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.568 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.85 -41.75 78.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.887 0.375 . . . . 0.0 110.267 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.73 -47.57 74.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 16' ' ' PHE . 11.1 p -65.89 -27.12 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.773 0.32 . . . . 0.0 111.043 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.496 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 14.0 ttp180 -61.29 -35.87 78.5 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.064 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -103.66 -43.28 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.688 -174.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.78 -26.24 21.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -170.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.515 HD11 ' HA ' ' A' ' 92' ' ' THR . 96.0 mt 62.44 31.83 16.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.017 0.437 . . . . 0.0 111.134 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -73.62 100.1 3.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.52 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -70.79 -37.68 73.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.677 0.275 . . . . 0.0 111.121 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -58.99 -56.92 16.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.14 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.2 t90 -70.36 -40.48 74.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.223 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.54 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.4 t80 -56.7 -57.87 10.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.572 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -69.44 -28.89 66.51 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.685 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -68.05 -44.07 77.25 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.622 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -68.67 -33.92 74.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.783 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 77.1 mt -59.75 -52.22 66.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 174.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.12 -26.1 68.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.146 0.498 . . . . 0.0 110.835 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -80.31 -21.29 42.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.948 -176.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -130.09 -56.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 111.097 -174.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.424 ' ND2' ' HD1' ' A' ' 40' ' ' TYR . 38.0 t30 -87.38 89.56 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.739 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 113' ' ' HIS . 48.4 t -78.78 -29.34 14.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.271 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.465 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 35.4 m -94.06 -82.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -175.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -169.98 146.53 3.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.669 0.271 . . . . 0.0 111.258 -174.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.509 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 48.2 p90 -116.12 137.78 51.83 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.482 HG23 HG22 ' A' ' 109' ' ' VAL . 48.5 mt -112.0 106.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.372 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.746 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -96.68 107.54 20.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.739 -177.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.22 107.8 18.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HG ' HH11 ' A' ' 97' ' ' ARG . 6.7 mp -67.92 159.97 29.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.501 -178.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.678 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 75.39 -49.65 0.63 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.446 0.698 . . . . 0.0 111.193 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 m -84.76 -23.66 29.14 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 61.06 37.73 17.69 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.87 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -99.18 108.11 20.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.718 173.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -98.95 111.4 28.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.441 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -100.85 99.5 10.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.628 0.251 . . . . 0.0 110.452 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -89.17 110.16 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.034 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' O ' ' HB2' ' A' ' 38' ' ' SER . 43.8 t -91.25 109.37 21.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.24 -174.23 0.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.104 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -52.68 -65.09 0.62 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 -177.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -151.54 18.97 0.72 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.894 0.854 . . . . 0.0 108.789 175.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.96 -84.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.851 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -156.57 168.29 27.85 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.0 m -96.16 123.8 39.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.267 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -99.4 116.26 42.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.745 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.9 pt? -103.25 114.21 28.31 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.398 0.618 . . . . 0.0 111.229 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 12' ' ' PHE . 23.9 mt -85.61 88.97 7.6 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 172.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.4 pttt . . . . . 0 C--N 1.319 -0.752 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.558 -175.738 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.678 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 80.0 mt . . . . . 0 N--CA 1.464 0.225 0 CA-C-O 121.02 0.438 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 68' ' ' VAL . 5.8 p -156.91 97.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.695 0.759 . . . . 0.0 110.981 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -158.8 30.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.669 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 45' ' ' ALA . 75.7 t -64.6 121.77 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.842 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' A' ' 102' ' ' LYS . 62.1 mttm -78.41 160.32 27.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.497 -176.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -85.65 2.01 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.594 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.0 m -89.95 161.1 16.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.669 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.83 110.63 7.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.01 0.434 . . . . 0.0 110.366 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -127.98 136.75 51.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.641 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -98.58 -23.57 15.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.61 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -68.42 -34.59 76.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.697 0.284 . . . . 0.0 110.992 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.8 tp -69.2 -34.77 75.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.99 -48.26 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -55.82 -54.24 46.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.437 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 p -63.9 -34.81 78.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.805 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.45 HG22 ' CD1' ' A' ' 96' ' ' TYR . 47.1 m -70.28 -39.27 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 110.618 177.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -59.81 -51.72 68.54 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.285 174.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -63.61 -33.15 74.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.497 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -60.74 -48.89 79.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.112 177.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.64 -44.61 89.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.481 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.62 -35.31 72.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.548 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 m -92.35 -48.8 6.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -98.44 -17.73 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -170.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 58.85 71.41 0.59 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.425 0.631 . . . . 0.0 109.968 -171.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 36.7 pt -89.01 160.57 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.898 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.547 ' HB ' ' HG2' ' A' ' 95' ' ' GLU . 4.1 m -60.4 142.8 54.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.721 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.496 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 41.3 t80 -60.81 -27.64 68.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.945 0.403 . . . . 0.0 110.904 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -69.01 -39.31 79.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.547 ' HG2' ' HB ' ' A' ' 92' ' ' THR . 12.9 mm-40 -70.98 -36.47 72.53 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.122 0.487 . . . . 0.0 110.168 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.45 ' CD1' HG22 ' A' ' 82' ' ' THR . 69.3 t80 -60.27 -52.0 67.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.409 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 97' ' ' ARG . 34.5 mtm180 -72.14 -26.2 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.632 -178.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.577 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 13.8 ttm-85 -58.14 -56.38 22.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 178.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -66.41 -34.22 77.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.377 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.494 ' HG ' ' HB ' ' A' ' 105' ' ' VAL . 16.3 tp -64.76 -38.65 91.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.403 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.94 72.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.65 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 72.8 mmtt -68.42 -24.85 64.79 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.105 0.479 . . . . 0.0 110.006 176.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.07 -16.44 56.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.047 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.51 7.35 39.88 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.594 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.494 ' HB ' ' HG ' ' A' ' 100' ' ' LEU . 61.3 t -76.95 107.92 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.235 0.54 . . . . 0.0 110.617 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -104.69 -29.65 10.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.524 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.929 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 37.7 ttt180 -118.52 105.43 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.753 -174.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.746 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.8 t90 -92.57 105.43 17.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.568 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.482 HG22 HG23 ' A' ' 41' ' ' ILE . 61.0 t -112.38 114.64 47.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 122.167 -0.333 . . . . 0.0 110.491 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.524 HG23 ' HG2' ' A' ' 117' ' ' ARG . 95.2 m -117.93 111.2 18.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.117 0.484 . . . . 0.0 111.149 178.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.534 ' HB3' ' HG2' ' A' ' 114' ' ' GLU . 7.7 m120 -88.12 103.81 16.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.695 175.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.416 HD11 HD13 ' A' ' 32' ' ' LEU . 48.3 mm -65.19 -38.46 82.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.295 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 57.1 t-80 -63.56 -29.21 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.906 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.534 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 38.1 mm-40 -95.69 -14.95 23.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.026 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 62.95 37.73 11.69 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.565 0.54 . . . . 0.0 110.691 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 58.4 mtpt -138.42 136.67 36.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.504 -175.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.524 ' HG2' HG23 ' A' ' 110' ' ' THR . 20.4 mtm180 -105.18 126.66 52.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.798 174.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -108.31 126.28 52.65 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.075 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -104.89 109.08 20.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.434 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.929 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 82.7 m-85 -102.97 139.38 38.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.783 ' HB ' HD11 ' A' ' 127' ' ' LEU . 5.0 t -80.37 174.37 11.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.69 174.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -63.85 -17.56 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.501 0.667 . . . . 0.0 110.553 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 124' ' ' ASN . 3.6 m-20 -72.02 -8.88 57.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.761 176.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 123' ' ' ASP . 25.7 m-80 68.56 25.15 6.74 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.701 0.626 . . . . 0.0 110.43 -174.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.9 t -104.21 139.59 39.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.456 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.3 tp -72.92 113.4 9.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.984 0.421 . . . . 0.0 110.602 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.783 HD11 ' HB ' ' A' ' 121' ' ' THR . 85.3 mt -86.08 -63.65 1.28 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.747 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -124.75 139.64 53.67 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.06 -173.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.9 m -117.79 105.11 11.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.959 0.409 . . . . 0.0 110.249 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -112.61 111.93 23.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.511 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 15.3 m -74.66 137.89 42.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.489 HG23 ' HG3' ' A' ' 117' ' ' ARG . 28.0 pt -88.64 6.02 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.125 0.488 . . . . 0.0 110.725 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.471 ' HA ' HD13 ' A' ' 11' ' ' ILE . 8.6 tt0 -64.17 -23.29 67.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.04 -170.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.62 -36.42 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.877 0.37 . . . . 0.0 110.432 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.7 t -61.69 -41.47 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 8' ' ' GLN . 2.5 mp -62.22 -54.76 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.57 ' HB2' HD21 ' A' ' 61' ' ' LEU . 72.2 m-85 -66.4 -40.16 89.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.486 -177.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HA ' HD13 ' A' ' 61' ' ' LEU . 18.9 ttpp -62.34 -36.31 81.8 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.31 -37.77 88.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.86 -51.55 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.225 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.618 ' HA ' HG12 ' A' ' 19' ' ' VAL . 87.1 m-85 -69.9 -32.88 71.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.879 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.7 -39.46 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.533 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -91.5 -38.95 12.22 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.952 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -63.93 -29.04 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -175.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -70.56 -12.02 61.3 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 111.455 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 9.1 t30 -114.54 -54.48 2.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -177.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.8 -15.78 33.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.06 -173.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.419 HD21 ' H ' ' A' ' 93' ' ' PHE . 89.7 mt 61.01 34.03 19.47 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.405 0.441 . . . . 0.0 112.044 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -79.43 86.95 5.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.616 0.722 . . . . 0.0 110.745 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 77.7 m-85 -80.0 -24.03 41.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.6 -176.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -58.18 -51.49 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.371 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -74.09 -31.57 62.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.911 0.386 . . . . 0.0 110.444 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.5 t80 -60.01 -57.64 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.395 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -66.38 -31.73 72.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.4 m -63.86 -46.68 83.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.9 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -68.74 -32.41 72.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.854 178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 76.6 mt -60.4 -49.37 77.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.922 0.392 . . . . 0.0 110.431 176.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -73.06 -12.14 60.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.591 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -100.04 -16.93 17.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.973 0.416 . . . . 0.0 111.359 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -127.57 -46.24 1.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.958 -0.463 . . . . 0.0 111.363 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.28 79.61 9.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.13 0.49 . . . . 0.0 109.853 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -70.88 -32.61 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.038 -176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 p -103.15 -82.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.244 -0.583 . . . . 0.0 111.917 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 48.0 p-80 -163.52 157.23 19.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.741 0.305 . . . . 0.0 111.286 -173.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.561 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 44.0 p90 -128.11 141.39 51.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 174.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 41' ' ' ILE . 4.3 mp -107.83 109.39 28.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.146 -178.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.586 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.1 t80 -90.49 112.17 23.72 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.841 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -90.69 113.6 25.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.968 0.413 . . . . 0.0 109.914 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.97 158.77 35.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.851 -177.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . 69.36 -66.75 0.25 Allowed 'General case' 0 C--O 1.223 -0.303 0 O-C-N 124.014 0.821 . . . . 0.0 110.766 -173.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 m -60.52 -27.49 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.125 0.488 . . . . 0.0 110.428 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 46.6 mt-10 61.5 26.25 16.02 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.239 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.558 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -89.77 99.18 12.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.572 175.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.9 t -89.86 111.78 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.872 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -92.47 93.86 8.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.722 -177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.4 105.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.006 0.431 . . . . 0.0 110.642 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 t -87.29 114.25 26.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 172.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.37 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.281 0.563 . . . . 0.0 111.28 -176.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.448 ' HG2' ' OD1' ' A' ' 55' ' ' ASN . 45.1 tttm -115.52 -65.61 1.17 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.09 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' OD1' ' HG2' ' A' ' 54' ' ' LYS . 4.5 p-10 -171.0 20.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.838 175.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -113.81 -33.8 5.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.714 -170.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -153.52 149.42 27.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.383 . . . . 0.0 110.772 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.5 m -120.24 106.04 11.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.802 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.61 103.17 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.17 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.859 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.9 pt? -93.48 118.75 31.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.256 0.551 . . . . 0.0 110.519 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 12' ' ' PHE . 26.2 mt -90.86 175.83 6.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.95 -177.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.1 tttm . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.985 175.878 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.406 HG21 ' NH1' ' A' ' 97' ' ' ARG . 10.9 tp . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.76 136.97 59.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 120.861 0.363 . . . . 0.0 110.792 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 m -82.63 106.95 14.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.61 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.592 HG23 ' HB2' ' A' ' 45' ' ' ALA . 89.5 t -68.56 113.65 4.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -85.1 135.23 34.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.907 -174.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.474 ' HA ' ' HE1' ' A' ' 122' ' ' PHE . 16.2 p90 -67.43 90.22 0.24 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 122.119 0.962 . . . . 0.0 110.786 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.401 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 22.8 m -146.13 177.82 8.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.36 178.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -151.4 72.49 1.04 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.451 0.643 . . . . 0.0 109.832 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -115.16 120.82 41.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.091 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.512 ' HA ' HD12 ' A' ' 79' ' ' ILE . 28.9 ptt180 -92.17 -13.38 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.797 -176.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -71.47 -40.29 70.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.491 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 103' ' ' ALA . 42.1 tp -64.26 -42.65 96.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 76' ' ' ARG . 66.1 mt -57.4 -50.34 77.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.624 174.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.37 -50.08 63.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.109 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.9 m -62.18 -38.57 89.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.797 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.497 HG22 ' CD1' ' A' ' 96' ' ' TYR . 31.1 m -67.94 -45.4 74.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.714 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.2 m -58.06 -42.27 85.11 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -70.52 -40.14 73.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.732 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.728 ' HE3' HD13 ' A' ' 91' ' ' ILE . 36.2 ttpt -63.33 -41.56 98.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.314 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.431 ' HA ' HG12 ' A' ' 91' ' ' ILE . 54.1 tp -71.2 -41.87 69.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.882 -0.511 . . . . 0.0 110.567 177.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.461 ' HB2' ' HZ2' ' A' ' 87' ' ' LYS . 4.2 ttmp? -70.26 -39.33 75.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.683 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.5 m -94.89 -36.39 11.64 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -175.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 89' ' ' ARG . 20.6 ttt180 -97.35 -27.52 14.45 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.461 -173.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 62.95 70.34 0.55 Allowed 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.721 0.638 . . . . 0.0 110.172 -172.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.728 HD13 ' HE3' ' A' ' 85' ' ' LYS . 46.4 pt -85.48 -179.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.726 176.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.441 ' HB ' ' HG3' ' A' ' 95' ' ' GLU . 1.8 m -74.87 143.01 44.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.076 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.582 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 63.8 t80 -62.62 -30.37 71.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.996 0.426 . . . . 0.0 110.341 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.565 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 10.0 tt0 -64.96 -38.55 91.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.608 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.441 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 37.5 mt-10 -67.6 -34.48 77.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.358 0.599 . . . . 0.0 109.92 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.497 ' CD1' HG22 ' A' ' 82' ' ' THR . 38.0 t80 -64.49 -49.56 70.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.425 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 1.0 OUTLIER -65.89 -32.53 74.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.733 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 93.7 mtt-85 -67.33 -44.1 79.95 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.61 0.243 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.04 -42.41 99.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.1 mt -65.41 -39.24 91.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.067 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.59 96.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.426 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -79.16 -12.49 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.5 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.497 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -82.88 -14.45 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.171 0.51 . . . . 0.0 110.571 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 105.75 8.67 34.25 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.544 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.32 120.24 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.946 0.403 . . . . 0.0 110.179 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -118.94 -26.44 6.01 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.056 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.495 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 10.0 ttp85 -123.6 99.73 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.588 0.709 . . . . 0.0 110.501 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.586 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.3 t90 -97.74 99.55 10.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.534 -177.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 118' ' ' TYR . 44.8 t -104.49 105.39 18.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.761 0.315 . . . . 0.0 111.219 -174.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.561 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 30.4 m -97.52 109.28 22.06 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.74 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.488 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 62.8 t30 -97.05 96.66 8.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.165 -177.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.7 mm -64.14 -29.11 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.266 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -61.5 -21.8 64.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.218 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -116.4 -8.45 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.411 ' CB ' ' HB2' ' A' ' 133' ' ' GLN . 82.4 mm-40 60.84 33.76 19.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.389 0.614 . . . . 0.0 109.814 -173.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -120.73 150.5 40.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.603 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 129' ' ' THR . 39.0 ttm180 -121.29 108.51 13.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.829 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.417 ' HB2' ' HB ' ' A' ' 109' ' ' VAL . 89.3 m-85 -94.46 133.53 37.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.079 -175.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.74 113.62 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.474 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.495 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 77.3 m-85 -113.63 140.97 47.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.198 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.612 ' HB ' HD11 ' A' ' 127' ' ' LEU . 10.0 t -83.97 167.49 16.88 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.474 ' HE1' ' HA ' ' A' ' 72' ' ' PHE . 47.5 p90 -66.89 -20.69 65.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 110.924 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.26 0.73 20.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.658 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 54.1 t30 64.1 79.18 0.26 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.534 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.5 m -152.53 132.84 13.65 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.132 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.06 103.88 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.044 0.45 . . . . 0.0 109.807 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.612 HD11 ' HB ' ' A' ' 121' ' ' THR . 79.5 mt -80.09 -52.46 7.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.549 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -151.33 158.12 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.922 -177.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 61.5 m -149.8 111.58 4.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.235 177.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -104.88 157.98 16.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.0 t -119.41 132.17 55.78 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.611 -0.435 . . . . 0.0 109.909 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.411 HG12 ' H ' ' A' ' 132' ' ' ILE . 6.6 pt -83.83 -0.4 5.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.539 0.685 . . . . 0.0 110.046 176.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.411 ' HB2' ' CB ' ' A' ' 115' ' ' GLN . 13.0 tm0? . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 171.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.632 ' HA ' HD13 ' A' ' 11' ' ' ILE . 3.2 pt20 -67.6 -14.61 63.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.175 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.92 -38.69 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 48.5 t -65.88 -31.91 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.646 175.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.632 HD13 ' HA ' ' A' ' 8' ' ' GLN . 1.8 mp -67.14 -57.42 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.641 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.528 ' HB3' HD11 ' A' ' 61' ' ' LEU . 80.7 m-85 -66.67 -44.69 81.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.783 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.14 -36.2 82.83 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.47 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 8.6 tt0 -61.67 -39.52 91.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 11' ' ' ILE . 67.6 mt -56.69 -54.85 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -66.79 -38.08 85.82 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.456 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.32 -46.06 78.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB3' ' HE2' ' A' ' 18' ' ' LYS . 37.8 mtpt -75.11 -37.52 61.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.494 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.25 -22.59 31.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.707 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.583 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 12.3 mtm180 -56.53 -36.9 69.75 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.611 173.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -106.77 -41.86 5.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.776 -174.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.85 -32.31 72.73 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 93' ' ' PHE . 66.9 mt 61.19 28.63 18.22 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.499 0.499 . . . . 0.0 110.975 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -91.04 79.12 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.686 0.755 . . . . 0.0 110.67 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -64.9 -31.25 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.042 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -54.73 -55.9 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.591 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -67.98 -38.27 82.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.546 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.556 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 59.1 t80 -55.11 -55.88 26.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.2 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -70.53 -29.13 65.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.597 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 66.6 m -61.84 -51.75 66.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.745 0.307 . . . . 0.0 110.485 177.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' A' ' 35' ' ' HIS . 49.8 mm-40 -68.6 -30.66 69.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.151 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 54.8 mt -58.9 -58.02 10.47 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.254 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -58.8 -34.95 72.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 111.463 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 30' ' ' SER . 78.0 mtp180 -66.41 -41.75 88.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.658 0.266 . . . . 0.0 111.648 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 31' ' ' GLU . 24.3 m-70 -103.78 -59.06 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.482 . . . . 0.0 110.236 -172.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -96.82 85.17 3.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.655 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.8 t -79.18 -17.6 13.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.727 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.54 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 14.8 m -93.21 -83.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.492 -175.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.652 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 7.5 p-80 -176.18 154.6 1.41 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.68 0.276 . . . . 0.0 111.562 -175.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.529 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 51.2 p90 -124.91 139.36 53.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.542 178.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 41' ' ' ILE . 4.5 mp -105.61 101.59 12.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.575 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.608 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 3.3 t80 -95.39 107.88 20.05 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.89 -175.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 106' ' ' PHE . 75.8 m-85 -88.02 124.7 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.521 174.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -77.31 -174.7 3.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.102 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.54 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . 71.29 -66.93 0.28 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.403 0.681 . . . . 0.0 111.531 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.4 p -89.76 -18.5 26.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.264 0.554 . . . . 0.0 109.97 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.442 ' CD ' HH12 ' A' ' 20' ' ' ARG . 5.9 mt-10 65.1 50.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.632 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.603 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 94.9 m-20 -88.74 95.63 10.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.715 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 14.5 t -94.39 107.39 19.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.469 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -90.47 95.43 10.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 58' ' ' THR . 65.0 mt -92.38 106.0 17.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.315 -177.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.54 ' O ' ' HB2' ' A' ' 38' ' ' SER . 44.8 t -86.03 110.57 20.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.1 mt -76.45 170.81 15.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.865 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -70.81 -7.52 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.32 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 4.3 t-20 -105.3 20.22 19.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.778 -178.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 11.7 t70 77.32 -35.7 0.22 Allowed 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.015 177.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -57.83 133.88 55.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 46.5 m -106.67 119.93 40.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.187 0.518 . . . . 0.0 110.96 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.9 t -91.31 103.08 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 3.7 pp -93.15 126.63 38.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.181 0.515 . . . . 0.0 110.435 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.603 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 40.5 mt -105.83 146.8 29.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.095 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt . . . . . 0 C--N 1.317 -0.826 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.119 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 37.7 mm . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.07 136.09 32.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.47 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 m -70.57 102.95 2.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.777 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 45' ' ' ALA . 24.6 t -94.62 135.44 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.064 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -99.72 -175.52 3.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.002 0.429 . . . . 0.0 110.861 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.525 ' HD1' ' HB3' ' A' ' 122' ' ' PHE . 27.0 m-85 -109.68 21.02 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.51 0.671 . . . . 0.0 109.259 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.43 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 14.9 m -76.53 166.78 22.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.038 -175.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.77 80.95 1.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.815 176.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.477 ' HB2' ' HA ' ' A' ' 103' ' ' ALA . 4.1 m-20 -106.96 85.3 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.046 0.45 . . . . 0.0 111.088 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.515 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 42.6 ttm180 -69.27 -38.24 78.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.077 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -61.76 -30.58 70.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.9 tp -73.41 -36.58 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.07 -49.29 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.158 0.504 . . . . 0.0 109.858 174.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 41.2 mt-10 -57.39 -48.43 79.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.0 p -66.5 -38.65 87.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.382 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.476 HG22 ' CD1' ' A' ' 96' ' ' TYR . 88.3 m -64.35 -39.95 94.9 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.614 0.245 . . . . 0.0 110.96 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -60.87 -50.03 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -62.39 -39.34 92.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.707 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.595 ' HE2' HG21 ' A' ' 91' ' ' ILE . 81.3 tttt -61.98 -36.62 82.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.337 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.49 ' HA ' HG12 ' A' ' 91' ' ' ILE . 61.3 tp -69.12 -39.66 78.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.995 0.426 . . . . 0.0 110.586 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -75.2 -31.0 60.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.116 0.484 . . . . 0.0 111.041 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.4 p -79.41 -68.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.06 -175.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 89' ' ' ARG . 0.4 OUTLIER -93.76 -2.2 54.02 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -173.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 43.0 mt-10 52.61 67.61 0.96 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.41 0.624 . . . . 0.0 110.707 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.595 HG21 ' HE2' ' A' ' 85' ' ' LYS . 48.2 pt -75.75 175.84 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.064 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.559 ' HB ' ' HG3' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -73.15 142.85 47.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.694 179.64 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.583 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 54.8 t80 -66.8 -24.16 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 110.663 -176.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -66.03 -30.33 70.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.003 174.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.559 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 38.2 mt-10 -75.68 -42.9 49.89 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.16 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.476 ' CD1' HG22 ' A' ' 82' ' ' THR . 73.0 t80 -55.17 -43.08 73.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.465 ' HD2' ' CE2' ' A' ' 93' ' ' PHE . 33.9 mtp180 -70.58 -36.97 73.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.444 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -72.32 -35.65 68.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 111.255 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.428 ' N ' HD22 ' A' ' 99' ' ' ASN . 0.9 OUTLIER -67.87 -35.12 77.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.109 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.4 mt -64.55 -37.51 87.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.889 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.533 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -58.37 -42.33 86.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.198 0.523 . . . . 0.0 110.667 177.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -68.4 -27.45 66.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.037 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.477 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . . . -77.77 -8.24 57.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.365 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 96.61 7.63 57.77 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.355 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.32 102.62 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.078 0.466 . . . . 0.0 110.304 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 55.0 t80 -103.04 -19.14 14.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.236 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.848 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 21.6 ttt180 -118.7 100.17 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.227 0.537 . . . . 0.0 110.912 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.608 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.7 t90 -95.89 103.02 14.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.112 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' ' 107' ' ' ARG . 59.9 t -112.51 101.44 12.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.994 0.426 . . . . 0.0 110.88 -177.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.529 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 93.5 m -102.65 111.02 23.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.025 0.44 . . . . 0.0 110.513 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.652 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 91.5 m-20 -86.57 109.07 18.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.056 175.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.3 mm -64.88 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.18 0.514 . . . . 0.0 110.328 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -63.74 -27.36 69.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.651 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.589 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 2.3 mp0 -93.31 -20.78 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.437 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 61.21 35.62 18.28 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.563 0.697 . . . . 0.0 109.9 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' A' ' 131' ' ' SER . 94.6 mttt -131.55 133.51 45.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.915 -176.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 117' ' ' ARG . 6.6 mtp180 -102.14 102.22 12.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.341 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -87.91 129.7 35.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.528 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -112.4 114.07 26.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.004 0.43 . . . . 0.0 110.483 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.848 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 86.5 m-85 -111.73 143.08 43.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.387 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.493 ' HB ' HD11 ' A' ' 127' ' ' LEU . 9.5 t -78.77 170.21 17.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 171.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.525 ' HB3' ' HD1' ' A' ' 72' ' ' PHE . 61.4 t80 -65.0 -26.03 68.11 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.199 0.524 . . . . 0.0 110.312 -178.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.432 ' HB3' HG23 ' A' ' 121' ' ' THR . 13.0 t70 -61.74 -17.77 57.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.494 174.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 t30 71.11 77.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.527 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -155.92 144.02 19.86 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.716 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.0 tp -72.1 103.6 3.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.893 -176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.493 HD11 ' HB ' ' A' ' 121' ' ' THR . 37.8 mt -86.45 -41.11 14.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.984 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -154.66 148.48 25.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.859 0.361 . . . . 0.0 110.777 -176.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.7 m -128.06 100.22 5.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.053 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -89.76 92.92 9.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.255 0.55 . . . . 0.0 109.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.578 ' HB3' ' HG2' ' A' ' 116' ' ' LYS . 1.4 p -79.41 119.95 23.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.697 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.0 pt -86.72 62.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.062 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.907 179.83 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.62 ' HB2' HG23 ' A' ' 10' ' ' VAL . 7.7 m-20 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.68 -34.1 61.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.478 . . . . 0.0 110.511 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.421 HG13 HD23 ' A' ' 61' ' ' LEU . 61.1 t -57.78 -41.22 79.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.015 178.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 7' ' ' ASP . 92.3 t -62.62 -47.64 91.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.43 -176.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.556 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.7 mp -56.86 -54.35 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.684 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.401 ' O ' ' HD1' ' A' ' 16' ' ' PHE . 56.9 m-85 -65.2 -42.84 93.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.846 0.355 . . . . 0.0 111.46 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.552 ' HA ' HD13 ' A' ' 61' ' ' LEU . 46.7 tttm -63.53 -39.76 95.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.283 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -65.43 -32.62 74.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.572 0.225 . . . . 0.0 111.217 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 11' ' ' ILE . 73.3 mt -62.67 -55.9 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.249 177.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.518 ' HA ' HG12 ' A' ' 19' ' ' VAL . 78.2 m-85 -65.02 -38.05 89.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.288 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.95 -41.43 97.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.704 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -91.3 -30.53 16.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -66.68 -27.9 41.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 O-C-N 122.127 -0.358 . . . . 0.0 110.994 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 39.1 ptt180 -72.57 -7.72 51.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.818 0.342 . . . . 0.0 111.142 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -115.43 -47.16 2.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.682 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -78.05 -25.56 47.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.39 -174.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.423 HD21 ' H ' ' A' ' 93' ' ' PHE . 91.3 mt 66.37 25.38 10.36 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.259 176.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -81.68 84.71 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.093 0.473 . . . . 0.0 109.862 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -74.29 -25.3 59.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.483 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.34 -56.03 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.741 0.305 . . . . 0.0 110.463 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -67.74 -38.19 83.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.472 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.504 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.5 t80 -54.52 -56.94 13.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.474 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -75.1 -20.61 59.39 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -176.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 72.4 m -71.05 -42.53 69.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 0.0 110.284 176.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -67.41 -38.56 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.054 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 54.3 mt -57.92 -46.92 84.26 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -72.66 -14.43 61.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 30' ' ' SER . 54.5 mtm180 -100.12 -3.48 31.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.108 -0.37 . . . . 0.0 111.596 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -130.31 -58.56 1.06 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.112 0.482 . . . . 0.0 110.793 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -86.3 89.52 7.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.291 -176.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.14 -23.31 15.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.662 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 35.4 t -100.79 -89.02 0.35 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.29 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 28.2 p-80 -174.25 158.6 3.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.67 -174.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.624 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 51.9 p90 -125.76 146.05 49.94 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.356 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 41' ' ' ILE . 4.6 mp -111.41 109.99 30.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.803 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.903 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -99.04 108.83 21.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.734 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -80.19 115.95 20.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 108' ' ' TRP . 6.9 mp -72.68 -47.3 48.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -172.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.505 ' HB3' ' HE1' ' A' ' 106' ' ' PHE . . . -81.77 39.68 0.56 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.088 0.471 . . . . 0.0 111.532 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 m -166.15 -36.1 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.363 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 65.57 67.06 0.5 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.649 -174.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.595 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 48.5 t-20 -137.28 113.12 9.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.569 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 t -95.45 120.23 44.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.334 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -101.9 97.7 8.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.474 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.32 109.81 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.669 0.271 . . . . 0.0 110.617 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 38' ' ' SER . 34.9 t -94.88 99.37 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 56' ' ' ASP . 86.5 mt -52.45 -51.64 58.2 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.408 -175.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 33.7 ttpt -177.91 -70.08 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -152.54 16.81 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.002 0.906 . . . . 0.0 108.707 170.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.465 ' HB3' HD12 ' A' ' 53' ' ' LEU . 7.4 t70 -80.07 -60.58 2.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.297 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -167.5 166.62 14.17 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.101 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.2 m -107.28 121.66 45.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.698 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 t -96.26 119.93 44.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -105.71 117.16 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.148 0.499 . . . . 0.0 110.331 177.416 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.595 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 25.8 mt -107.14 107.96 19.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.852 -176.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.286 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.9 mt . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 121.689 0.757 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.2 t -76.1 94.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.287 0.565 . . . . 0.0 110.043 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 t -130.19 20.98 5.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.277 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.646 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 97.8 t -83.21 129.77 36.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.906 -177.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 21.3 mtmm -76.01 142.51 41.84 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 122' ' ' PHE . 23.0 p90 -76.88 50.8 0.74 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.601 0.715 . . . . 0.0 110.345 176.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -143.69 -169.23 3.03 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.297 -173.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HG2' HD21 ' A' ' 127' ' ' LEU . 25.8 mtmm -134.79 81.92 1.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.468 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 8.7 t0 -96.74 87.61 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.899 -171.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -69.83 -31.8 69.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.0 0.429 . . . . 0.0 110.709 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -61.89 -38.82 89.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.183 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 26.0 tp -70.98 -33.77 70.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.462 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.18 -50.24 81.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.828 0.347 . . . . 0.0 110.194 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -54.68 -49.25 71.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.218 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 p -70.55 -33.38 71.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.977 -175.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.51 HG22 ' CD1' ' A' ' 96' ' ' TYR . 80.3 m -66.59 -47.42 72.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.662 0.268 . . . . 0.0 110.815 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.0 m -64.12 -32.86 74.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.696 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.17 -37.68 75.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.083 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.49 -38.75 81.27 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.816 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.17 -42.3 90.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.44 0.638 . . . . 0.0 110.005 176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -71.82 -27.12 62.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.89 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 t -64.88 -70.65 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.526 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 29.1 ttt180 -102.0 -77.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.401 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 10.9 mt-10 179.5 -46.12 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.572 -171.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.2 pt 43.87 -150.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 124.301 1.0 . . . . 0.0 112.129 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 94' ' ' GLN . 24.7 m -133.0 144.09 49.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.423 ' H ' HD21 ' A' ' 23' ' ' LEU . 68.0 t80 -58.58 -31.59 68.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.031 0.443 . . . . 0.0 110.734 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.4 ' H ' HG22 ' A' ' 92' ' ' THR . 52.0 tt0 -63.37 -39.33 94.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.663 178.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.12 -38.48 61.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.056 0.455 . . . . 0.0 110.056 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.51 ' CD1' HG22 ' A' ' 82' ' ' THR . 56.2 t80 -56.09 -48.63 75.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.323 177.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -28.76 63.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.778 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -63.97 -45.58 88.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.979 0.419 . . . . 0.0 110.942 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -73.71 -29.87 62.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 48.3 mt -63.26 -43.09 98.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.86 0.362 . . . . 0.0 110.253 174.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.646 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -59.96 -42.44 94.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.166 0.507 . . . . 0.0 110.231 176.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 35.9 ttpt -68.96 -12.16 61.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.109 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 75' ' ' ASP . . . -90.48 -8.99 48.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.066 0.46 . . . . 0.0 110.558 176.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.64 1.25 40.1 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.05 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.436 HG22 HD12 ' A' ' 127' ' ' LEU . 61.1 t -71.66 108.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.246 0.546 . . . . 0.0 109.956 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.505 ' HE1' ' HB3' ' A' ' 45' ' ' ALA . 81.5 t80 -105.38 -25.0 12.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.929 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.604 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 15.3 mtp180 -122.1 98.48 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.948 -177.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.903 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.5 t90 -83.58 100.88 11.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.8 t -112.7 101.67 12.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.038 0.447 . . . . 0.0 111.001 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.624 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 37.5 m -98.6 110.85 23.38 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.538 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 6.9 m-20 -89.2 98.59 11.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.955 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 51.1 mm -66.96 -29.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -63.11 -16.4 59.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.236 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.635 ' HB3' ' HE2' ' A' ' 116' ' ' LYS . 47.6 mt-10 -125.68 -4.23 7.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.699 HE21 HD11 ' A' ' 132' ' ' ILE . 3.8 tp60 57.25 36.85 27.87 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.525 0.516 . . . . 0.0 110.815 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.635 ' HE2' ' HB3' ' A' ' 114' ' ' GLU . 48.3 mtmt -134.11 151.68 51.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.59 ' HD2' ' OH ' ' A' ' 119' ' ' TYR . 35.8 ttm180 -113.63 118.7 35.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.896 0.379 . . . . 0.0 110.382 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -97.88 135.76 39.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.677 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.59 ' OH ' ' HD2' ' A' ' 117' ' ' ARG . 77.1 m-85 -111.72 107.33 16.39 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.604 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 80.2 m-85 -109.36 143.86 38.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.602 ' HB ' HD11 ' A' ' 127' ' ' LEU . 8.9 t -90.06 175.24 7.24 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 171.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 72' ' ' PHE . 38.6 p90 -70.07 -15.81 63.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.249 0.547 . . . . 0.0 110.107 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.05 -5.59 51.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.779 175.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 64.11 16.32 9.91 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.214 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -86.94 124.94 33.69 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.21 114.57 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 110.31 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.602 HD11 ' HB ' ' A' ' 121' ' ' THR . 67.3 mt -83.36 -55.17 4.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.326 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -151.4 154.96 37.66 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.716 -175.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 46.6 m -134.14 108.0 8.05 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -107.94 114.87 29.11 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.165 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.6 m -69.7 123.48 21.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.644 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.699 HD11 HE21 ' A' ' 115' ' ' GLN . 4.6 pt -73.44 92.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.248 0.547 . . . . 0.0 111.653 -175.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 . . . . . 0 N--CA 1.465 0.324 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.832 175.276 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 120.358 0.123 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.665 ' HA ' HD13 ' A' ' 11' ' ' ILE . 8.1 pt20 -68.43 -11.51 59.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 HD23 ' A' ' 61' ' ' LEU . 60.9 t -54.24 -43.05 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.973 173.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.66 -39.87 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.926 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 8' ' ' GLN . 1.9 mp -60.46 -53.87 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.766 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.573 ' HB3' HD11 ' A' ' 61' ' ' LEU . 10.6 m-85 -62.36 -42.37 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.279 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -67.67 -37.21 82.06 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.581 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.99 -35.47 66.82 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.816 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.459 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 53.2 mt -61.09 -49.93 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.498 176.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -68.98 -39.73 79.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.382 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.42 -28.74 69.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -72.07 -49.74 33.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.037 0.446 . . . . 0.0 110.402 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.97 -23.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.285 -172.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.576 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 41.0 ptt85 -67.89 -26.58 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.723 -177.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.432 HD22 ' HA ' ' A' ' 21' ' ' ASN . 5.9 m120 -113.27 -42.64 3.47 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.92 -26.99 30.92 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.199 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt 64.13 29.93 13.93 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.846 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -80.62 76.86 7.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.639 0.733 . . . . 0.0 110.769 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.563 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 75.1 m-85 -63.91 -21.73 66.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.919 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -54.95 -49.1 72.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.662 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.459 ' CZ3' ' HA ' ' A' ' 15' ' ' ILE . 38.6 t90 -84.29 -35.84 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.333 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.599 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 45.6 t80 -53.47 -55.91 21.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.505 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -69.34 -27.68 65.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.577 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.5 m -65.16 -45.9 83.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.71 0.29 . . . . 0.0 110.712 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.45 -27.56 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.497 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 82.0 mt -66.25 -39.53 89.55 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -76.22 -15.27 60.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.383 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -97.25 -31.68 12.3 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -113.84 -46.82 3.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -172.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.411 ' O ' ' HB ' ' A' ' 112' ' ' ILE . 2.0 m-20 -84.62 47.43 1.37 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.558 -173.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.4 t -57.27 -24.96 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.064 -173.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.641 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 12.4 t -96.95 -84.29 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.735 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.542 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 7.1 p-80 -172.43 150.77 2.35 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.23 -0.294 . . . . 0.0 111.116 -177.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.628 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 38.1 p90 -123.72 138.44 54.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.016 0.436 . . . . 0.0 110.507 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 41' ' ' ILE . 4.2 mp -106.75 116.28 50.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.222 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.829 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -102.81 115.03 29.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.052 -177.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -95.19 105.2 17.11 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 108' ' ' TRP . 7.1 mp -66.07 -26.25 67.4 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.99 -13.94 58.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.064 0.459 . . . . 0.0 111.847 -175.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.515 ' HB ' HD22 ' A' ' 48' ' ' ASN . 24.9 m -123.85 -19.19 5.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.353 0.596 . . . . 0.0 110.766 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 63.79 28.99 14.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.878 -177.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.515 HD22 ' HB ' ' A' ' 46' ' ' THR . 9.5 p30 -94.65 131.03 40.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 171.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.6 t -112.36 114.4 46.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.157 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -92.66 95.85 9.83 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.701 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.455 HD13 ' HG ' ' A' ' 61' ' ' LEU . 3.5 mp -86.72 104.86 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.006 0.431 . . . . 0.0 110.054 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 38' ' ' SER . 61.2 t -83.38 116.52 27.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 174.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 56' ' ' ASP . 84.0 mt -70.23 178.83 2.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.888 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -42.09 -55.91 3.04 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.036 0.835 . . . . 0.0 111.992 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -156.48 21.95 0.35 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.107 0.956 . . . . 0.0 108.51 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' A' ' 53' ' ' LEU . 5.8 m-20 -92.03 -88.0 0.21 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.513 -171.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -154.9 -168.97 3.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.768 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.9 m -110.93 114.49 27.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.05 0.452 . . . . 0.0 111.455 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.27 107.2 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.35 114.65 27.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.127 0.489 . . . . 0.0 111.59 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 12' ' ' PHE . 44.9 mt -87.88 116.68 26.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.396 174.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.064 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.373 0.606 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.7 t -95.73 82.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.296 0.569 . . . . 0.0 110.698 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.2 m -108.63 5.09 24.63 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 40.0 t -91.61 120.29 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.25 -178.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -76.97 155.12 32.9 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.504 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -88.97 11.11 19.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.599 0.714 . . . . 0.0 110.243 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.1 m -91.03 -173.78 3.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.559 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.563 ' HB2' HD21 ' A' ' 127' ' ' LEU . 24.8 pttm -150.21 128.18 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.05 0.452 . . . . 0.0 111.05 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -138.32 142.57 39.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.249 172.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -100.42 -14.13 18.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.15 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -75.8 -49.99 16.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.168 -176.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.75 -39.28 88.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.83 -48.28 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.031 0.444 . . . . 0.0 110.439 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.67 -50.59 73.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.467 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -62.01 -46.05 90.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.511 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.526 HG22 ' HD1' ' A' ' 96' ' ' TYR . 40.4 m -63.25 -39.71 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.417 -177.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -67.73 -43.1 80.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.921 0.391 . . . . 0.0 111.142 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -64.76 -48.36 74.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.151 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -63.26 -32.19 73.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.211 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 46.9 tp -56.73 -51.35 69.18 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.202 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 87' ' ' LYS . 24.3 tptp -81.82 -19.52 40.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.115 -176.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.2 m -72.67 -57.89 3.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -91.75 -19.12 22.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.415 . . . . 0.0 110.525 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 22.9 mt-10 57.55 62.05 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.333 -174.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.4 pt -78.58 169.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.31 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -65.03 156.2 32.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.37 0.605 . . . . 0.0 111.849 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.576 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 26.5 t80 -63.57 -23.97 67.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.142 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.24 -43.27 78.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.831 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.8 -42.33 99.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 110.253 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.526 ' HD1' HG22 ' A' ' 82' ' ' THR . 41.6 t80 -60.29 -45.87 91.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.101 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -62.13 -48.87 78.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.693 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -61.7 -40.34 94.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.587 -172.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.7 -35.38 75.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.646 0.26 . . . . 0.0 110.836 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.478 HD22 HG21 ' A' ' 105' ' ' VAL . 71.8 mt -63.27 -41.74 99.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.032 0.444 . . . . 0.0 110.417 175.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.524 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -60.11 -39.74 87.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.839 178.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -69.77 -25.77 63.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.095 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.21 -19.2 43.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.73 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.29 16.7 11.75 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.939 177.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.478 HG21 HD22 ' A' ' 100' ' ' LEU . 66.6 t -76.32 100.51 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.106 0.479 . . . . 0.0 109.944 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -94.21 -31.31 14.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.75 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.474 ' HG2' HG23 ' A' ' 109' ' ' VAL . 33.0 ttp-105 -128.49 108.5 10.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.471 0.653 . . . . 0.0 110.998 -177.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.829 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.5 t90 -97.44 103.51 15.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.23 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.474 HG23 ' HG2' ' A' ' 107' ' ' ARG . 41.2 t -110.94 94.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.01 0.433 . . . . 0.0 111.189 -175.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.773 HG23 ' HG2' ' A' ' 117' ' ' ARG . 93.8 m -86.92 108.32 18.75 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.542 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 41.8 t-20 -99.34 93.86 6.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.718 -176.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.411 ' HB ' ' O ' ' A' ' 36' ' ' ASN . 50.9 mm -64.95 -34.77 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.21 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.641 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 52.3 t-80 -62.3 -26.27 68.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.968 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -109.97 -4.01 16.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.773 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 63.21 37.2 11.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.458 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.413 ' HD2' ' CZ ' ' A' ' 118' ' ' TYR . 76.6 mttt -136.96 158.52 44.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.771 0.319 . . . . 0.0 110.856 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.773 ' HG2' HG23 ' A' ' 110' ' ' THR . 56.3 mtp180 -123.08 102.35 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 172.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.453 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 76.3 m-85 -86.36 137.83 32.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.495 -174.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.423 ' HD2' ' HB3' ' A' ' 128' ' ' PHE . 96.5 m-85 -119.67 109.93 16.23 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.518 176.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.538 ' HB3' ' HA ' ' A' ' 124' ' ' ASN . 97.1 m-85 -111.91 144.54 41.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.492 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.452 HG23 ' H ' ' A' ' 123' ' ' ASP . 9.0 t -89.17 -176.98 5.3 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -56.68 -32.62 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.882 0.373 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.452 ' H ' HG23 ' A' ' 121' ' ' THR . 20.7 t70 -97.52 20.08 12.34 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.494 0.664 . . . . 0.0 110.011 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.538 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 25.5 m-20 73.28 -77.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.537 1.135 . . . . 0.0 109.507 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t 60.95 -42.33 0.11 Allowed 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 125.401 1.481 . . . . 0.0 114.031 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.1 tp 63.86 81.67 0.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.422 0.63 . . . . 0.0 109.381 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 74' ' ' LYS . 95.9 mt -86.43 -33.95 20.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.002 -175.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.423 ' HB3' ' HD2' ' A' ' 119' ' ' TYR . 0.4 OUTLIER -152.87 154.53 35.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.852 -177.413 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 4.5 t -162.87 99.11 0.98 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.643 0.735 . . . . 0.0 110.061 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -89.94 127.34 36.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.968 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.9 t -91.04 119.51 31.26 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.2 pt -79.54 98.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.591 0.71 . . . . 0.0 110.577 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.774 -176.424 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.581 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 8.7 t0 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.325 0.583 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.88 -29.43 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.989 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.581 ' HB ' ' OD2' ' A' ' 7' ' ' ASP . 66.0 t -63.35 -34.72 68.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.101 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 98.3 t -58.03 -50.52 77.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.64 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.532 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -58.44 -52.64 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 -177.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.474 ' HA ' HD12 ' A' ' 15' ' ' ILE . 55.2 m-85 -61.57 -41.21 97.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.758 0.313 . . . . 0.0 111.248 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HA ' HD13 ' A' ' 61' ' ' LEU . 37.4 ttpt -63.89 -40.92 97.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.568 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 10' ' ' VAL . 98.0 mt-30 -60.28 -37.57 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.661 0.267 . . . . 0.0 110.826 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 11' ' ' ILE . 82.8 mt -59.04 -58.48 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.681 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.52 ' HA ' HG12 ' A' ' 19' ' ' VAL . 94.6 m-85 -70.23 -32.64 70.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.623 -175.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.49 -45.4 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.058 0.456 . . . . 0.0 110.365 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -72.94 -39.86 65.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.448 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 16' ' ' PHE . 10.8 p -66.55 -27.34 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 122.061 -0.399 . . . . 0.0 110.85 -178.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' HG3' ' HD2' ' A' ' 93' ' ' PHE . 54.5 ttp180 -75.98 -10.79 59.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.1 0.476 . . . . 0.0 110.495 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -113.23 -53.0 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.482 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 19.8 t70 -75.98 -23.39 55.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.872 -176.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt 62.3 34.6 15.75 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.774 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.482 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 51.4 t-20 -88.3 98.34 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.757 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.415 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 97.1 m-85 -89.76 -24.63 21.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -58.15 -50.57 73.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.377 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -74.83 -37.48 62.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.335 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.507 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.9 t80 -50.45 -61.53 2.13 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.144 -175.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -67.94 -29.94 69.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.622 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.508 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 22.3 m -73.09 -37.36 66.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.852 0.358 . . . . 0.0 110.559 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' CD ' HH21 ' A' ' 34' ' ' ARG . 8.3 tp10 -67.92 -41.59 82.4 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.408 0.623 . . . . 0.0 109.758 176.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 93.9 mt -58.05 -42.02 84.54 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.282 175.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -61.92 -28.58 69.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.926 0.393 . . . . 0.0 111.342 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 30' ' ' SER . 52.5 mtm180 -80.19 -22.4 41.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.484 -177.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -121.41 -55.07 1.96 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.005 0.431 . . . . 0.0 111.7 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.04 79.84 5.41 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.325 -176.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 113' ' ' HIS . 42.3 t -65.59 -29.59 47.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.86 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 t -106.9 -87.2 0.48 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.409 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -162.07 155.09 20.34 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.426 -0.509 . . . . 0.0 112.127 -171.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.738 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 41.3 p90 -125.75 144.04 50.79 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 172.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.414 HG23 HG22 ' A' ' 109' ' ' VAL . 4.5 mp -107.95 109.36 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.988 0.423 . . . . 0.0 110.149 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.79 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 13.1 t80 -94.88 111.53 23.32 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 176.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -85.83 116.02 23.83 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.569 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.46 161.43 29.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 74.36 -22.54 0.25 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.708 0.63 . . . . 0.0 112.08 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.1 p -116.73 -23.53 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 66.87 24.09 9.82 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.924 0.393 . . . . 0.0 110.748 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -94.97 113.08 24.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.893 0.378 . . . . 0.0 110.165 179.334 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.92 121.38 54.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.53 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -108.53 102.26 11.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.854 0.359 . . . . 0.0 110.279 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.5 mp -92.18 109.54 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.714 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.02 109.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 57' ' ' ASN . 36.8 mt -54.61 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.526 0.516 . . . . 0.0 111.241 -174.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 55' ' ' ASN . 85.7 tttt -121.03 -32.81 3.86 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 63.3 t30 155.18 -19.38 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.115 -1.402 . . . . 0.0 107.455 -174.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -71.24 -50.09 36.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.268 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.537 ' HB3' HD12 ' A' ' 53' ' ' LEU . 52.5 t30 -123.73 150.96 43.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.964 0.411 . . . . 0.0 111.202 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 51.3 m -139.11 114.08 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.368 177.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.454 HG13 HG22 ' A' ' 9' ' ' VAL . 19.4 t -105.1 126.05 60.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.8 pt? -110.96 121.96 46.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.05 0.452 . . . . 0.0 111.066 -178.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 13' ' ' LYS . 10.4 mt -102.37 105.73 16.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.019 177.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.9 tttp . . . . . 0 C--N 1.322 -0.596 0 CA-C-O 120.879 0.371 . . . . 0.0 110.209 -177.681 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 67' ' ' ILE . 9.0 tp . . . . . 0 C--O 1.235 0.307 0 CA-C-O 122.169 0.985 . . . . 0.0 108.348 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.9 p -54.11 112.52 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.339 -173.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -134.32 13.04 3.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.057 174.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' A' ' 101' ' ' ALA . 8.3 t -89.83 135.56 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.542 -174.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -115.43 153.88 30.27 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.522 ' HD1' ' HE1' ' A' ' 122' ' ' PHE . 55.8 t80 -69.8 88.82 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.379 0.609 . . . . 0.0 110.28 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 m -125.29 156.91 37.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.489 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -132.99 87.82 2.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -136.08 113.85 11.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.012 0.434 . . . . 0.0 110.492 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HG3' ' HD1' ' A' ' 128' ' ' PHE . 20.3 ttt180 -81.37 -27.21 34.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.946 -178.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -68.02 -44.61 76.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.113 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.515 HD23 ' HB2' ' A' ' 103' ' ' ALA . 44.2 tp -59.83 -41.25 90.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.488 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.3 mt -60.0 -48.89 86.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -53.63 -48.27 69.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.413 0.625 . . . . 0.0 110.536 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 85' ' ' LYS . 20.8 m -65.02 -30.75 71.75 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.992 -177.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.2 m -72.8 -45.36 58.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.544 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -58.97 -42.9 91.05 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.016 0.436 . . . . 0.0 110.265 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.23 -42.84 93.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.406 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 81' ' ' THR . 35.3 ttmt -59.47 -37.92 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.129 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 96' ' ' TYR . 55.7 tp -67.31 -51.1 56.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.096 0.474 . . . . 0.0 110.719 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.75 -33.89 76.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.521 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -93.86 -58.7 2.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -84.48 -17.89 37.62 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -170.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 63.12 63.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.47 0.652 . . . . 0.0 110.486 -175.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.453 HG12 ' HA ' ' A' ' 86' ' ' LEU . 35.2 pt -79.69 145.76 8.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.15 171.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -63.97 148.95 48.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.577 0.227 . . . . 0.0 110.845 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.483 ' HD2' ' HG3' ' A' ' 20' ' ' ARG . 47.9 t80 -55.82 -32.81 63.88 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.97 0.414 . . . . 0.0 111.337 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.449 ' HA ' HH21 ' A' ' 97' ' ' ARG . 63.8 tt0 -59.56 -50.56 73.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.608 174.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.25 -34.54 78.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.663 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.477 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 52.0 t80 -59.03 -48.84 80.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.433 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.449 HH21 ' HA ' ' A' ' 94' ' ' GLN . 66.2 mtm180 -69.75 -29.46 66.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.385 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -41.06 95.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.391 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -38.04 75.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.381 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.32 -37.65 87.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HA ' HG13 ' A' ' 70' ' ' VAL . . . -60.58 -36.3 78.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.637 176.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -70.06 -29.57 66.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.415 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.515 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -81.46 -11.34 59.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.505 -178.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 97.14 20.72 22.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.888 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.9 t -86.1 121.02 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.018 0.437 . . . . 0.0 111.169 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -110.43 -26.28 9.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.875 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.858 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 9.4 mpt_? -109.75 110.98 22.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.321 -178.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.79 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 7.4 t-105 -96.31 90.39 5.43 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 169.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.571 ' HB ' ' HB2' ' A' ' 118' ' ' TYR . 46.9 t -106.47 99.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.063 0.458 . . . . 0.0 110.375 -176.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.738 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 52.1 m -95.54 110.7 22.74 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -102.66 111.86 24.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.513 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 47.3 mm -76.73 -33.7 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.386 -175.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 59.3 t-80 -62.14 -44.94 95.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.194 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -85.89 -11.78 52.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.915 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 58.4 44.88 17.57 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.487 0.492 . . . . 0.0 110.3 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -140.32 139.65 35.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.218 -175.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.576 ' HG2' HG23 ' A' ' 110' ' ' THR . 68.4 mtm180 -105.34 110.16 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.617 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.571 ' HB2' ' HB ' ' A' ' 109' ' ' VAL . 70.1 m-85 -92.45 129.07 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.671 -176.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.402 ' HE2' ' HG2' ' A' ' 130' ' ' GLU . 77.6 m-85 -110.59 105.33 14.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.214 176.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.858 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 74.0 m-85 -106.27 150.52 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.365 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.452 HG23 ' H ' ' A' ' 123' ' ' ASP . 10.2 t -88.05 -178.73 6.05 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.522 ' HE1' ' HD1' ' A' ' 72' ' ' PHE . 34.5 p90 -67.57 -19.64 65.29 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.24 0.543 . . . . 0.0 110.684 -176.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' ' 124' ' ' ASN . 12.1 t70 -71.87 -18.08 62.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.975 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 123' ' ' ASP . 89.1 m-20 76.95 15.46 1.91 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.782 -174.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 49.5 m -71.33 131.66 43.75 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.319 171.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 53.9 tp -77.22 105.76 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 110.151 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.1 mt -81.58 -44.55 17.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.373 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.436 ' HD1' ' HG3' ' A' ' 76' ' ' ARG . 33.8 t80 -151.38 143.77 24.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.9 t -138.2 111.26 7.83 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 128' ' ' PHE . 7.3 pt-20 -106.89 129.02 54.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 -177.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 m -80.67 113.77 19.1 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.8 pt -63.82 114.96 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.556 0.693 . . . . 0.0 111.0 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.425 ' OE1' ' HA ' ' A' ' 133' ' ' GLN . 8.8 mm-40 . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.126 -176.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.151 0.501 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.469 ' HA ' HD13 ' A' ' 11' ' ' ILE . 5.2 tp-100 -65.0 -26.44 68.29 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.371 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.444 HG13 HD23 ' A' ' 61' ' ' LEU . 79.1 t -59.18 -36.64 64.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.873 0.368 . . . . 0.0 110.481 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.91 -36.74 77.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.602 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.485 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.0 mp -67.87 -55.46 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.785 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.479 ' HB3' HD11 ' A' ' 61' ' ' LEU . 43.5 m-85 -67.85 -40.46 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HA ' HD13 ' A' ' 61' ' ' LEU . 54.5 tttm -64.23 -38.3 90.55 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.129 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 8.5 tt0 -62.82 -31.58 72.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.465 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 11' ' ' ILE . 66.9 mt -65.95 -55.94 17.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.754 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.625 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 69.5 m-85 -64.24 -45.38 88.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.151 -178.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.659 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -63.1 -26.46 68.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 111.296 179.572 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 21.3 ttmm -71.45 -49.46 41.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.883 0.373 . . . . 0.0 110.594 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 16' ' ' PHE . 9.6 p -67.13 -20.89 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.37 -174.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.659 ' HE ' ' HA ' ' A' ' 17' ' ' ASP . 81.0 mtt-85 -58.12 -34.23 70.0 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.935 0.398 . . . . 0.0 110.887 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -116.32 -38.77 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.588 -173.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.499 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 25.5 t70 -82.55 -28.82 30.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.278 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.7 mt 61.16 32.2 19.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.794 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.499 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 54.2 t-20 -80.61 90.42 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 174.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -78.08 -27.01 48.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.635 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.35 -55.1 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.373 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -70.01 -32.1 70.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.064 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.447 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 75.3 t80 -59.01 -54.08 51.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.617 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -67.02 -35.28 79.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.057 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 22.6 t -61.02 -44.95 96.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.751 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -73.01 -33.66 65.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 77.6 mt -62.22 -44.51 96.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 175.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -72.0 -20.3 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.201 -176.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 30' ' ' SER . 46.7 mtm180 -100.37 -8.53 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -131.4 -52.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.49 ' ND2' ' HD2' ' A' ' 40' ' ' TYR . 39.2 t30 -85.78 87.08 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.354 0.597 . . . . 0.0 109.992 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -74.76 -32.33 28.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.565 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.6 p -101.25 -83.26 0.45 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.128 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -164.77 152.16 11.4 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 122.048 -0.407 . . . . 0.0 111.622 -170.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.707 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 42.7 p90 -128.72 147.27 50.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.111 175.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.78 113.1 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.09 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.794 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.3 OUTLIER -99.82 109.59 21.99 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.01 -178.518 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -86.52 104.11 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 108' ' ' TRP . 5.8 mp -63.87 -38.35 90.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.08 -173.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.776 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -68.06 -44.11 77.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 p -97.32 -5.52 36.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -175.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' CD ' HH12 ' A' ' 20' ' ' ARG . 13.8 tp10 61.92 43.06 9.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.04 0.924 . . . . 0.0 109.378 -176.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -110.07 111.76 23.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.518 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -105.69 115.61 47.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.254 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -103.48 99.26 9.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.603 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.14 108.64 20.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.81 0.338 . . . . 0.0 111.048 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.71 109.24 20.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.86 -75.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.244 0.545 . . . . 0.0 111.584 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -146.66 -70.89 0.24 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -145.11 10.02 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.801 174.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.85 -73.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.5 -175.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -157.69 178.02 10.73 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.973 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.0 m -113.99 111.97 22.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.226 175.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.16 109.91 17.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.753 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.5 pt? -98.26 111.51 23.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.334 0.587 . . . . 0.0 111.072 -178.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 13' ' ' LYS . 19.4 mt -98.88 106.12 18.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.51 178.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 pttp . . . . . 0 C--N 1.319 -0.742 0 CA-C-O 121.34 0.591 . . . . 0.0 110.663 179.794 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 3.3 mp . . . . . 0 C--O 1.237 0.403 0 CA-C-O 120.723 0.297 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.776 HG12 ' HA ' ' A' ' 45' ' ' ALA . 8.3 p -85.41 152.56 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.017 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -93.01 108.49 20.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.052 0.453 . . . . 0.0 111.08 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 106' ' ' PHE . 62.0 t -87.59 114.58 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 174.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -95.69 157.72 15.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.487 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -83.19 65.17 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.417 0.627 . . . . 0.0 109.893 174.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.1 m -144.08 91.92 2.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.013 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 103' ' ' ALA . 56.2 pttt -91.9 125.57 36.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.215 -170.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -146.7 130.85 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.71 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -79.24 -28.65 42.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.224 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -68.34 -37.04 80.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.295 -173.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.54 HD23 ' HB2' ' A' ' 103' ' ' ALA . 43.2 tp -62.21 -48.84 78.23 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.72 -47.68 85.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.326 0.584 . . . . 0.0 110.172 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.34 -54.8 41.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.948 178.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.5 m -61.07 -39.48 90.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.5 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.562 HG21 ' HB2' ' A' ' 99' ' ' ASN . 26.1 m -67.72 -34.31 76.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.735 0.303 . . . . 0.0 110.923 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.6 m -67.32 -39.4 85.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.45 . . . . 0.0 110.079 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -67.72 -37.48 82.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.332 175.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -62.56 -44.09 97.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.959 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.558 ' HA ' HG12 ' A' ' 91' ' ' ILE . 47.0 tp -64.25 -44.58 91.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.774 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -68.08 -48.0 66.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.46 -177.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.3 m -79.41 -46.49 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -173.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -100.4 -7.37 24.43 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.679 -172.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 73.4 -46.2 0.63 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.455 0.702 . . . . 0.0 111.429 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.558 HG12 ' HA ' ' A' ' 86' ' ' LEU . 36.0 pt 39.39 -131.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.124 0.97 . . . . 0.0 112.483 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.1 m -145.39 151.12 37.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 47.0 t80 -56.9 -31.63 65.09 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.799 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 2.4 mp0 -59.47 -52.61 64.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.182 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -56.17 -44.02 78.92 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.321 0.388 . . . . 0.0 111.501 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.485 ' HD1' HG22 ' A' ' 82' ' ' THR . 37.5 t80 -56.71 -42.34 78.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.407 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.418 ' HD3' ' CE2' ' A' ' 93' ' ' PHE . 49.4 mtm180 -77.0 -34.84 57.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.576 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 17.5 mmt85 -59.47 -43.16 93.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.213 0.53 . . . . 0.0 110.557 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.562 ' HB2' HG21 ' A' ' 82' ' ' THR . 6.9 m-20 -72.77 -35.39 67.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.205 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.38 -47.19 83.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.329 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.78 71.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.215 0.531 . . . . 0.0 110.427 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -71.61 -21.07 61.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.484 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.54 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -96.26 0.71 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 121' ' ' THR . . . 100.34 6.5 53.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.287 176.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.3 t -78.36 104.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.491 . . . . 0.0 110.506 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.54 ' HB2' HG11 ' A' ' 70' ' ' VAL . 87.5 t80 -104.18 -30.35 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.725 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 70.6 mtp85 -116.48 99.11 6.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.153 -178.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.794 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.4 t90 -91.78 94.34 9.3 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 175.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 41.6 t -103.58 100.38 10.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.823 0.344 . . . . 0.0 110.57 -178.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.707 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 36.8 m -90.76 118.34 30.1 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -101.82 104.13 14.87 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.114 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.5 mm -70.97 -32.5 48.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.354 -176.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.15 -33.82 75.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.048 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -94.95 -15.05 23.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.62 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.544 ' HG3' HG13 ' A' ' 132' ' ' ILE . 0.0 OUTLIER 68.69 31.81 4.43 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.518 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -136.2 147.72 47.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.165 0.507 . . . . 0.0 111.803 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -95.56 135.17 37.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -116.67 110.96 19.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.834 0.349 . . . . 0.0 110.314 176.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -93.94 106.15 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.725 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 97.7 m-85 -101.68 138.54 38.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.237 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.564 ' HB ' HD11 ' A' ' 127' ' ' LEU . 1.6 t -69.83 172.24 7.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.121 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.95 -34.85 73.81 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.54 10.03 8.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.021 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 65.4 t30 61.6 85.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.796 0.838 . . . . 0.0 111.76 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 120' ' ' TYR . 22.9 t -157.36 142.12 16.71 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.496 HD11 ' HB ' ' A' ' 129' ' ' THR . 48.2 tp -72.38 99.31 2.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.992 0.425 . . . . 0.0 111.085 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.564 HD11 ' HB ' ' A' ' 121' ' ' THR . 33.9 mt -78.43 -45.92 21.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.344 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -149.4 141.13 23.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.056 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.496 ' HB ' HD11 ' A' ' 126' ' ' LEU . 15.3 t -135.0 142.59 46.47 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -141.8 142.33 33.2 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 m -92.32 125.27 36.91 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.328 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.544 HG13 ' HG3' ' A' ' 115' ' ' GLN . 12.5 pt -75.01 98.89 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.134 0.492 . . . . 0.0 110.428 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.058 -175.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.834 0.35 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.02 -27.15 68.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.03 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.17 -40.28 76.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.309 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.73 -41.85 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.186 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.8 mp -64.58 -49.28 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.587 178.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.412 ' CZ ' HD21 ' A' ' 53' ' ' LEU . 7.0 m-85 -64.58 -41.61 96.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.62 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 7.7 ttpp -71.04 -18.57 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.109 -0.637 . . . . 0.0 109.8 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -76.57 -39.47 52.58 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.735 ' HA ' ' HZ2' ' A' ' 27' ' ' TRP . 88.6 mt -58.77 -55.67 21.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.672 176.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -64.72 -30.18 71.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.195 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.62 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 5.6 t70 -74.26 -39.99 62.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.819 0.342 . . . . 0.0 110.376 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -50.28 72.09 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.244 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.49 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 13.0 p -74.43 -25.48 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -63.09 -41.59 99.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.586 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -102.37 -26.78 13.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -94.87 -25.44 16.59 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.811 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD11 ' HA ' ' A' ' 92' ' ' THR . 53.2 mt 66.51 27.67 9.66 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.419 0.628 . . . . 0.0 111.085 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.49 ' OD1' ' HA ' ' A' ' 19' ' ' VAL . 16.8 p-10 -86.29 64.56 8.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.336 177.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -58.63 -24.43 61.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.258 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -40.82 77.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.415 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.735 ' HZ2' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -71.72 -35.49 70.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.367 0.603 . . . . 0.0 110.082 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -75.85 -43.54 45.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.046 -163.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -67.86 -31.17 70.8 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.255 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.528 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 20.4 t -76.82 -38.94 52.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -56.94 -52.17 66.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.652 176.231 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.88 -47.35 80.69 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.163 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 37' ' ' VAL . 78.7 tttt -60.85 -24.51 65.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 0.0 111.468 -174.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 30' ' ' SER . 75.9 mtp180 -75.08 -47.08 30.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.246 0.546 . . . . 0.0 110.848 177.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' HB3' ' HZ ' ' A' ' 12' ' ' PHE . 44.8 m80 -100.77 -64.1 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.256 -173.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -87.22 80.19 8.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.327 0.584 . . . . 0.0 110.456 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.477 HG21 ' HD3' ' A' ' 54' ' ' LYS . 5.9 t -85.41 -1.57 7.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.999 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.527 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 14.5 t -103.11 -81.7 0.5 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -176.52 146.08 0.59 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.507 0.194 . . . . 0.0 110.848 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.61 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 27.1 p90 -118.83 134.19 55.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 172.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.533 HG23 HG22 ' A' ' 109' ' ' VAL . 55.6 mt -102.4 106.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.765 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.616 ' HB3' ' CD1' ' A' ' 108' ' ' TRP . 0.4 OUTLIER -95.82 118.86 33.27 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.817 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -92.94 104.89 17.08 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.578 ' CD2' ' HG3' ' A' ' 97' ' ' ARG . 9.7 mt -57.49 -47.32 82.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -173.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.58 ' HB3' ' HE1' ' A' ' 106' ' ' PHE . . . -72.18 -32.98 67.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.443 HG22 HD22 ' A' ' 48' ' ' ASN . 3.7 m -87.71 -15.51 36.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.839 0.352 . . . . 0.0 111.559 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 61.62 19.76 10.71 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.612 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.443 HD22 HG22 ' A' ' 46' ' ' THR . 9.8 m-80 -109.88 133.07 53.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.479 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.3 t -113.91 121.85 66.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.324 -176.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -102.52 99.34 9.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.809 0.338 . . . . 0.0 110.092 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.563 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.7 mp -93.82 101.81 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.083 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 38' ' ' SER . 22.6 t -88.95 107.05 17.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 60.9 mt -74.0 166.4 23.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.928 -177.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HD3' HG21 ' A' ' 37' ' ' VAL . 24.7 pttm -64.14 -22.44 66.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.047 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.47 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 66.4 t30 -93.22 22.94 4.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.262 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 9.7 t70 76.47 -36.75 0.27 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.66 174.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -55.21 126.81 26.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.035 0.445 . . . . 0.0 110.94 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 32.2 m -106.22 122.05 45.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.759 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.8 t -94.17 132.99 36.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.645 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 58.5 tp -112.75 109.27 18.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.761 0.315 . . . . 0.0 110.795 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.486 HD22 ' HB2' ' A' ' 13' ' ' LYS . 25.5 mt -98.75 158.18 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.508 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.876 176.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 67' ' ' ILE . 9.4 tp . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 122.201 1.001 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 p -85.71 28.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.764 0.792 . . . . 0.0 111.207 -174.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 m -81.61 -7.25 59.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.726 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.45 HG22 ' HB1' ' A' ' 101' ' ' ALA . 73.3 t -70.16 117.69 13.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.031 177.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.551 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 75.3 mmtt -91.87 158.55 16.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.506 -176.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -80.63 75.41 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.5 m -119.07 174.92 6.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.387 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -139.71 35.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.659 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 79' ' ' ILE . 2.6 m-20 -76.41 77.89 3.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.698 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -65.26 -32.87 74.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.627 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -66.07 -32.83 74.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.439 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.6 tp -72.02 -37.08 69.84 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 75' ' ' ASP . 67.6 mt -60.15 -48.24 88.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.997 174.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -55.2 -49.94 70.66 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.663 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.6 m -60.23 -40.92 91.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.06 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.427 HG21 ' HG ' ' A' ' 100' ' ' LEU . 52.4 m -65.2 -48.65 72.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.5 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.402 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 10.6 t -63.91 -41.82 97.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.077 0.465 . . . . 0.0 110.191 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -64.89 -39.14 93.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HG2' HG21 ' A' ' 91' ' ' ILE . 35.0 ttpt -64.81 -36.74 85.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.687 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' ' 91' ' ' ILE . 56.9 tp -68.73 -48.18 64.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.987 0.422 . . . . 0.0 109.967 175.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -57.28 -32.69 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.461 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -92.78 -58.44 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.199 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -97.72 -2.4 41.33 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -168.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 56.77 51.3 11.1 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.668 0.27 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.569 HG12 ' HA ' ' A' ' 86' ' ' LEU . 36.4 pt -67.17 155.82 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 -177.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.569 ' HA ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -61.93 157.39 18.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.124 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -60.53 -28.67 68.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.349 0.595 . . . . 0.0 109.49 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -59.37 -55.38 35.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.573 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.58 -43.77 89.56 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.2 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.402 ' HE1' ' HA ' ' A' ' 83' ' ' SER . 38.0 t80 -60.11 -56.76 17.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.789 -178.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.578 ' HG3' ' CD2' ' A' ' 44' ' ' LEU . 33.2 ttt180 -64.55 -37.49 87.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.907 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 98' ' ' ARG . 23.5 ttt180 -60.33 -49.33 78.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.813 0.34 . . . . 0.0 111.794 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -69.48 -32.1 70.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.993 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.427 ' HG ' HG21 ' A' ' 82' ' ' THR . 96.0 mt -67.51 -38.53 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.936 0.398 . . . . 0.0 110.594 177.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.45 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -61.94 -39.89 93.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.017 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -70.65 -25.16 62.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.786 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . . . -70.41 -13.81 62.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.48 -177.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 101.56 10.0 42.29 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.395 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.9 t -80.05 116.74 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.925 0.393 . . . . 0.0 110.098 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.58 ' HE1' ' HB3' ' A' ' 45' ' ' ALA . 86.0 t80 -100.89 -31.43 11.15 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.833 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 98.1 mtt180 -119.43 102.77 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.664 ' H ' ' HD1' ' A' ' 108' ' ' TRP . 0.1 OUTLIER -104.53 101.73 11.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.28 1.038 . . . . 0.0 108.573 168.249 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.533 HG22 HG23 ' A' ' 41' ' ' ILE . 22.4 t -109.67 114.51 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.014 -1.448 . . . . 0.0 110.156 -172.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.61 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 17.6 m -96.54 104.09 16.04 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.09 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.425 ' OD1' HG12 ' A' ' 109' ' ' VAL . 3.9 m-20 -91.73 106.12 18.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.269 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.95 -35.26 68.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.527 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 51.4 t-80 -63.42 -33.72 76.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.079 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.01 -9.06 23.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.497 HE21 HG13 ' A' ' 132' ' ' ILE . 5.7 tp60 62.4 29.91 17.26 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.926 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -139.13 144.16 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.96 0.409 . . . . 0.0 111.384 -176.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.527 ' HB3' ' HB3' ' A' ' 130' ' ' GLU . 24.8 ttm-85 -101.74 112.94 25.7 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 80.4 m-85 -91.83 123.15 34.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.489 ' CZ ' ' HD2' ' A' ' 117' ' ' ARG . 95.1 m-85 -102.38 104.62 15.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.938 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.833 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 94.6 m-85 -106.33 141.12 38.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.402 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.577 ' HB ' HD11 ' A' ' 127' ' ' LEU . 15.0 t -79.11 179.38 7.4 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.79 -37.75 82.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.934 0.397 . . . . 0.0 110.78 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -87.56 42.09 1.02 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 49.84 21.94 0.77 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.692 1.197 . . . . 0.0 113.56 172.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.446 ' HB2' HG22 ' A' ' 121' ' ' THR . 16.0 m -95.25 132.4 40.26 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 122.199 -0.313 . . . . 0.0 110.576 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 66.0 tp -72.96 113.97 10.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.34 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.577 HD11 ' HB ' ' A' ' 121' ' ' THR . 91.1 mt -91.03 -61.3 1.7 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.144 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -133.52 148.0 51.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.85 0.357 . . . . 0.0 110.715 -174.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 21.7 m -123.55 109.83 14.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.69 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 117' ' ' ARG . 33.8 tt0 -99.4 105.65 17.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.29 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.2 m -78.98 108.49 12.5 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.528 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.497 HG13 HE21 ' A' ' 115' ' ' GLN . 14.5 pt -80.01 81.59 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.522 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.954 -177.735 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.035 0.445 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.448 ' OE1' HG22 ' A' ' 59' ' ' VAL . 36.8 tt0 -51.99 -33.11 36.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.665 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.9 -39.57 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.49 ' HA ' ' HG2' ' A' ' 13' ' ' LYS . 92.5 t -65.52 -43.38 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.146 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.531 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.1 mp -57.88 -51.97 63.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.295 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.543 ' HB2' HD21 ' A' ' 61' ' ' LEU . 56.0 m-85 -68.79 -44.1 74.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.412 . . . . 0.0 112.029 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.553 ' HA ' HD13 ' A' ' 61' ' ' LEU . 54.2 pttt -65.6 -30.74 71.51 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.594 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 9.4 tt0 -71.29 -32.33 68.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.581 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 11' ' ' ILE . 72.4 mt -62.46 -48.32 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.037 0.446 . . . . 0.0 110.177 176.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -70.58 -30.21 66.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.832 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.478 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 29.6 t70 -67.65 -39.32 84.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.121 0.486 . . . . 0.0 110.811 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 28.8 mmmt -67.57 -44.49 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.309 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.85 -27.86 31.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.845 -175.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.556 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 39.2 ptt180 -79.17 -17.84 54.19 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.171 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.401 ' OD1' ' HG3' ' A' ' 20' ' ' ARG . 6.5 m-20 -109.28 -44.72 3.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.494 -178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.32 -20.28 19.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.303 -174.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt 62.38 33.14 16.54 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.483 0.49 . . . . 0.0 111.24 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -83.51 77.75 9.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.684 0.754 . . . . 0.0 110.348 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -66.89 -31.05 71.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.054 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -61.45 -49.5 76.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.528 0.204 . . . . 0.0 110.949 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -69.69 -31.01 68.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.223 0.535 . . . . 0.0 110.197 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.602 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.5 t80 -67.59 -51.56 48.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.402 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -60.19 -43.13 96.16 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.675 0.274 . . . . 0.0 111.702 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 6.3 p -65.68 -40.06 91.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.269 -176.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -70.9 -30.68 67.09 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.449 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 83.3 mt -63.24 -45.83 89.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 175.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HA ' HG21 ' A' ' 112' ' ' ILE . 2.0 tmtp? -64.74 -30.36 71.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 -178.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 30' ' ' SER . 47.2 mtp180 -75.62 -31.71 59.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.975 -177.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -121.71 -48.31 2.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -170.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -81.92 36.31 0.45 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.446 0.298 . . . . 0.0 110.903 -175.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.608 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 17.7 t -51.33 -37.74 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.134 -172.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 39.4 m -77.35 -81.26 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.556 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -172.79 149.57 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.461 0.172 . . . . 0.0 110.575 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.627 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 52.5 p90 -118.13 137.19 53.12 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.52 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 63.6 mt -104.01 109.78 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.282 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.672 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.2 t80 -100.62 125.85 47.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.929 -177.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.431 ' HD2' ' HB2' ' A' ' 48' ' ' ASN . 25.6 m-85 -99.07 112.58 24.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 97' ' ' ARG . 56.2 mt -71.03 -3.31 18.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.213 -174.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.87 -61.01 1.72 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.737 0.303 . . . . 0.0 111.481 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 p -94.53 -6.4 43.84 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -174.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.654 ' HB2' HD13 ' A' ' 67' ' ' ILE . 33.1 tt0 64.61 33.3 10.82 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.961 0.886 . . . . 0.0 109.438 -177.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' HB2' ' HD2' ' A' ' 43' ' ' TYR . 11.2 m120 -96.16 138.45 33.75 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 t -129.71 128.76 65.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.832 0.349 . . . . 0.0 110.952 -176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.52 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 40.6 m-70 -103.01 99.34 9.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.029 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.3 mp -90.69 97.27 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.902 0.382 . . . . 0.0 110.081 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.522 ' O ' ' HB2' ' A' ' 38' ' ' SER . 20.8 t -82.74 113.93 22.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.0 mt -71.13 170.38 13.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.146 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.608 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 8.7 ttpp -84.05 13.23 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 64.4 t30 -138.15 48.56 1.97 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.278 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 7.3 t70 78.23 -45.08 0.41 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 167.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.65 144.02 54.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.893 0.378 . . . . 0.0 111.453 -176.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.7 m -122.97 129.53 51.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 19.1 t -93.47 119.17 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.016 178.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 tp -100.83 109.2 21.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.091 0.472 . . . . 0.0 111.129 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 13' ' ' LYS . 74.5 mt -93.18 142.6 27.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.973 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.315 -178.92 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.654 HD13 ' HB2' ' A' ' 47' ' ' GLU . 3.0 mp . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.2 t 42.62 66.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.462 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.9 m -105.35 3.28 29.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.046 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 44.2 t -76.33 122.92 31.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.084 -175.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.474 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 65.8 mmtt -104.27 159.56 15.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.012 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -79.63 78.62 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.6 m -141.55 177.58 8.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.623 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -149.82 32.25 0.7 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.618 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.66 131.08 34.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.554 -172.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -90.83 -16.22 28.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.906 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -67.71 -49.6 61.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.073 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.4 tp -63.22 -32.23 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.616 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.61 -52.84 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.211 0.529 . . . . 0.0 109.813 174.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.8 -37.57 84.86 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.018 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 m -65.26 -45.11 85.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.695 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -69.08 -31.91 70.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.136 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -62.77 -47.64 82.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.076 0.465 . . . . 0.0 109.894 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -68.1 -30.3 69.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.825 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -61.0 -48.47 81.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.117 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 90' ' ' GLU . 26.0 tp -62.92 -38.68 91.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.423 177.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -67.42 -47.46 70.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.009 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.5 t -82.5 -51.42 7.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.922 -174.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -96.6 -12.38 24.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -172.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.498 ' O ' HD12 ' A' ' 86' ' ' LEU . 36.6 tt0 72.48 -51.23 0.7 Allowed 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.756 0.66 . . . . 0.0 111.461 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.4 pt 46.79 -164.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.649 1.18 . . . . 0.0 112.767 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.0 m -105.42 147.27 28.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.891 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.556 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 66.2 t80 -56.94 -34.14 67.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.209 0.528 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.546 ' HG3' HH21 ' A' ' 97' ' ' ARG . 59.3 tt0 -60.01 -44.24 94.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.791 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -71.34 -35.6 71.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.49 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -56.67 -50.03 73.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.311 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.546 HH21 ' HG3' ' A' ' 94' ' ' GLN . 72.1 mtm180 -60.06 -42.07 93.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 60.8 mtp180 -53.87 -57.98 8.93 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.037 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -72.91 -23.57 60.72 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -172.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.72 -40.81 76.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.085 0.469 . . . . 0.0 109.908 173.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -68.31 -33.42 74.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 177.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 74.6 mmtt -62.85 -22.72 66.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.066 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.34 -11.65 59.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 109.33 3.11 31.2 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.777 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.23 121.45 33.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.027 0.441 . . . . 0.0 110.385 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.581 ' HB3' ' HA ' ' A' ' 122' ' ' PHE . 69.0 t80 -118.21 -27.31 6.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.901 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 1.063 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 2.3 tpp180 -109.18 95.44 5.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.263 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.672 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.1 t90 -88.9 102.94 15.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.496 HG23 ' HG3' ' A' ' 107' ' ' ARG . 66.5 t -117.2 111.98 37.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.771 0.32 . . . . 0.0 110.587 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.627 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 29.1 m -108.6 113.18 25.96 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.071 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -89.24 105.7 17.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.537 HG21 ' HA ' ' A' ' 33' ' ' LYS . 49.8 mm -73.87 -28.3 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.503 -175.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.518 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 16.4 t-80 -66.8 -34.26 77.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.225 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -96.39 -7.44 35.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.754 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 55.12 43.64 29.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.479 0.657 . . . . 0.0 109.332 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.48 ' HE2' HG21 ' A' ' 129' ' ' THR . 75.1 tttt -131.43 121.58 24.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.651 -168.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -101.11 120.43 40.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.933 0.397 . . . . 0.0 110.571 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.416 ' OH ' ' HD3' ' A' ' 116' ' ' LYS . 84.4 m-85 -102.7 142.41 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.81 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.465 ' CD1' ' HB3' ' A' ' 128' ' ' PHE . 96.2 m-85 -117.87 112.86 20.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.237 175.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 1.063 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 95.9 m-85 -113.42 142.8 45.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.285 0.365 . . . . 0.0 110.68 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.462 ' HB ' HD11 ' A' ' 127' ' ' LEU . 15.3 t -72.07 -179.02 2.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.502 175.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.581 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 35.1 p90 -60.32 -29.72 69.05 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.402 ' H ' HG23 ' A' ' 121' ' ' THR . 28.2 t70 -87.81 2.98 49.96 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.316 179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 5.1 t30 66.14 71.7 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.526 -177.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 120' ' ' TYR . 15.1 m -131.78 139.42 48.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.782 175.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.419 HD11 ' OG1' ' A' ' 129' ' ' THR . 29.6 tp -71.14 115.23 10.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.117 0.485 . . . . 0.0 111.291 -173.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.462 HD11 ' HB ' ' A' ' 121' ' ' THR . 94.0 mt -101.49 -46.77 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.708 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.465 ' HB3' ' CD1' ' A' ' 119' ' ' TYR . 20.9 t80 -141.95 149.03 39.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.48 HG21 ' HE2' ' A' ' 116' ' ' LYS . 9.4 m -145.11 117.85 8.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.696 0.284 . . . . 0.0 110.273 177.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -132.01 134.59 45.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 70.3 m -80.13 127.58 32.49 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.5 pt -82.47 95.87 3.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.342 0.592 . . . . 0.0 111.543 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.279 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.134 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.556 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 21.8 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.944 0.402 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -65.47 -26.91 68.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.584 -176.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.556 ' HB ' ' OD2' ' A' ' 7' ' ' ASP . 72.2 t -61.15 -37.58 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.468 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 7' ' ' ASP . 58.3 t -62.39 -46.14 97.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.631 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.2 mp -58.2 -51.51 70.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.711 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -60.83 -47.32 86.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.251 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 22.0 ttpp -60.21 -44.57 95.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.759 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -59.66 -36.65 76.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.637 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 11' ' ' ILE . 72.7 mt -60.2 -46.85 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 109.954 176.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' HA ' HG12 ' A' ' 19' ' ' VAL . 75.5 m-85 -69.62 -40.18 76.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.219 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' OD2' ' HG2' ' A' ' 13' ' ' LYS . 6.0 m-20 -54.81 -41.87 71.17 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.95 0.405 . . . . 0.0 110.966 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -76.24 -51.16 12.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.863 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -61.5 -27.24 41.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -170.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 16' ' ' PHE . 19.3 mtm180 -58.16 -31.67 67.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.67 0.271 . . . . 0.0 111.614 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -117.9 -26.25 6.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.011 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.32 -40.75 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 92' ' ' THR . 64.3 mt 71.48 13.79 6.42 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -77.54 124.36 27.81 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.719 -0.792 . . . . 0.0 109.079 174.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -101.54 -21.08 14.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.18 -52.78 44.83 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.75 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.5 t90 -68.45 -36.46 79.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.593 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 56.4 t80 -58.55 -58.98 6.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.87 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -68.36 -30.78 69.8 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 34' ' ' ARG . 24.0 t -62.78 -51.24 67.87 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -69.39 -26.88 64.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.82 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 29.9 mt -59.34 -58.81 6.97 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.482 174.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -69.63 -20.24 63.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.447 . . . . 0.0 110.649 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 30' ' ' SER . 29.7 ttp85 -89.9 -5.8 56.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.85 0.357 . . . . 0.0 111.382 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -130.63 -58.32 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.523 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' A' ' 40' ' ' TYR . 33.1 t30 -83.56 90.28 7.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.31 0.576 . . . . 0.0 109.896 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.75 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 13.5 t -86.3 -5.82 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.607 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.84 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 52.5 m -117.01 -91.74 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.722 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.553 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 9.8 p-80 -161.25 144.41 12.69 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.749 0.309 . . . . 0.0 111.812 -175.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.488 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 50.0 p90 -117.64 136.3 53.4 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 173.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.518 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 48.8 mt -101.81 103.34 14.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.827 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.941 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -93.01 117.47 30.1 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.89 -176.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -97.69 106.44 18.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.715 0.293 . . . . 0.0 110.953 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' H ' HD12 ' A' ' 44' ' ' LEU . 5.7 mp -69.09 -8.83 48.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 0.0 110.842 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.407 ' HA ' HG23 ' A' ' 70' ' ' VAL . . . -76.67 -28.88 56.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.353 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.58 HG23 HG12 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -131.3 -1.18 4.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.596 -175.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.544 ' HB3' ' O ' ' A' ' 63' ' ' GLY . 2.9 tp10 61.11 23.16 13.38 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.784 0.802 . . . . 0.0 109.564 -173.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 1.8 p30 -99.62 138.62 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.189 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.7 t -124.41 128.61 73.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.165 -174.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.518 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 12.2 m-70 -99.53 89.82 4.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.005 175.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.574 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 5.0 mp -85.19 98.7 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.857 0.361 . . . . 0.0 110.108 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 38' ' ' SER . 39.2 t -88.05 106.11 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 176.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.1 mt -70.37 -173.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.611 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.75 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 11.0 ttpp -47.27 -63.67 0.98 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.489 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -160.15 21.46 0.16 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -86.2 -73.91 0.44 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.489 -170.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -163.25 176.78 9.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.4 m -104.18 124.25 48.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.874 0.369 . . . . 0.0 110.172 176.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.574 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 21.9 t -95.41 127.19 47.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 60.7 tp -113.21 113.89 25.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.664 0.269 . . . . 0.0 110.47 -177.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.538 HD23 HG13 ' A' ' 9' ' ' VAL . 27.3 mt -96.78 146.67 24.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.156 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -131.59 115.36 15.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.016 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.544 ' O ' ' HB3' ' A' ' 47' ' ' GLU . . . -138.19 178.49 19.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.652 177.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 37.21 61.35 0.94 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.528 0.731 . . . . 0.0 112.249 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -68.8 92.31 0.48 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.51 0.671 . . . . 0.0 111.027 -176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -146.15 -44.94 0.2 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.101 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.649 HG22 HG23 ' A' ' 68' ' ' VAL . 40.0 mt 71.86 147.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.683 175.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.649 HG23 HG22 ' A' ' 67' ' ' ILE . 37.7 t 66.71 69.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.467 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -115.79 10.42 15.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.21 -0.905 . . . . 0.0 108.751 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.533 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 6.3 t -115.34 147.34 18.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.882 -174.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 37.0 mtpt -118.47 139.87 50.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -77.94 76.18 4.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.354 0.597 . . . . 0.0 109.941 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.3 m -139.11 78.5 1.68 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.653 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.588 ' HE2' HD21 ' A' ' 127' ' ' LEU . 13.3 ptmm? -75.51 105.55 6.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.253 -171.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -132.44 134.91 45.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.907 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -84.03 -28.9 27.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.167 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.451 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 65.8 t-80 -74.3 -37.68 63.56 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 -174.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 46.7 tp -59.06 -32.08 69.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.945 0.402 . . . . 0.0 110.305 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.44 -52.62 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.524 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -67.59 -31.37 71.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.705 -176.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.3 m -67.63 -36.03 80.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.126 0.488 . . . . 0.0 110.365 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.559 HG22 ' CD1' ' A' ' 96' ' ' TYR . 37.6 m -73.88 -38.42 64.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.411 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 11.6 p -69.92 -32.81 71.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.347 . . . . 0.0 110.42 177.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.67 -37.31 87.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.783 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.676 ' HE2' HG21 ' A' ' 91' ' ' ILE . 77.7 tttt -67.05 -40.24 87.08 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.262 0.554 . . . . 0.0 109.868 177.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 90' ' ' GLU . 32.4 tp -66.04 -37.79 86.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.427 177.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -57.75 -44.9 86.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.264 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.3 m -78.25 -70.26 0.5 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.507 ' HA ' ' NE ' ' A' ' 89' ' ' ARG . 4.1 mmp_? -100.34 -14.69 18.28 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -172.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' A' ' 86' ' ' LEU . 46.9 mt-10 70.26 -12.52 0.5 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.255 0.622 . . . . 0.0 111.981 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.676 HG21 ' HE2' ' A' ' 85' ' ' LYS . 6.5 pt 35.35 -103.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.538 1.135 . . . . 0.0 113.518 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.507 ' HA ' HD11 ' A' ' 23' ' ' LEU . 8.1 m -154.7 138.71 16.4 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 175.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.569 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 72.8 t80 -61.95 -30.93 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 111.372 -173.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 4.8 pt20 -67.66 -41.36 83.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.919 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.73 -38.16 76.75 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.973 0.416 . . . . 0.0 110.036 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.559 ' CD1' HG22 ' A' ' 82' ' ' THR . 69.0 t80 -52.47 -44.68 65.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.405 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 97' ' ' ARG . 46.6 mtm180 -79.7 -21.34 44.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.809 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 18.4 mmm180 -67.12 -43.83 81.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 177.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.11 -34.94 75.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.56 -38.89 90.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.362 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 70' ' ' VAL . . . -65.56 -30.05 70.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.188 0.518 . . . . 0.0 110.372 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -76.78 -15.24 59.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.114 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.566 ' O ' ' HA ' ' A' ' 74' ' ' LYS . . . -94.1 4.92 53.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.213 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 81.21 20.75 64.08 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.133 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.1 t -82.96 99.95 6.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.17 0.51 . . . . 0.0 110.264 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -93.85 -30.53 14.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.593 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.72 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 68.5 mtt180 -116.41 100.42 7.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.23 0.538 . . . . 0.0 111.703 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.941 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.4 t90 -86.93 92.49 9.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 172.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.422 HG22 HG23 ' A' ' 41' ' ' ILE . 56.7 t -105.1 97.39 5.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.055 0.455 . . . . 0.0 110.751 -175.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 82.5 m -92.98 104.76 16.95 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.045 0.45 . . . . 0.0 110.127 178.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.553 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 59.8 t30 -98.99 84.97 3.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.798 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 43.7 mm -59.24 -34.25 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.549 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.84 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 11.4 t-160 -59.31 -26.31 64.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.246 -177.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 115' ' ' GLN . 18.8 tt0 -114.62 -4.04 12.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.837 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.49 ' HA ' HD11 ' A' ' 132' ' ' ILE . 28.9 mm-40 74.48 21.87 2.22 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.372 0.669 . . . . 0.0 112.359 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -117.91 142.6 47.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.051 0.453 . . . . 0.0 111.615 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.512 ' HB2' HG23 ' A' ' 132' ' ' ILE . 25.2 ttp180 -111.03 107.6 17.05 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 169.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -95.75 136.58 35.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.217 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -112.33 110.3 20.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.489 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.72 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 93.1 m-85 -111.16 148.4 32.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.086 0.469 . . . . 0.0 111.123 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.6 t -84.84 178.45 7.61 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 170.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -62.65 -33.67 75.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.17 0.51 . . . . 0.0 110.729 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -86.14 24.83 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.64 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 53.67 16.58 1.01 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.234 1.414 . . . . 0.0 114.159 173.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.7 m -73.67 135.36 43.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.9 tp -69.92 116.3 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.588 HD21 ' HE2' ' A' ' 74' ' ' LYS . 94.5 mt -86.68 -48.24 8.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.019 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -165.26 167.13 18.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.539 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.9 t -155.93 154.12 30.69 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -148.11 160.66 42.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.448 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.7 m -81.55 135.32 35.58 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.512 HG23 ' HB2' ' A' ' 117' ' ' ARG . 1.3 pp -79.58 75.17 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -174.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.613 176.61 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.0 t0 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 121.455 0.645 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.497 ' OE1' HG22 ' A' ' 59' ' ' VAL . 36.2 tt0 -61.45 -26.49 67.92 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.682 -175.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG13 HD23 ' A' ' 61' ' ' LEU . 77.9 t -62.69 -38.24 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.078 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -59.82 -56.64 16.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.179 -177.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 11' ' ' ILE . 3.9 mp -57.61 -51.07 74.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.132 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.606 ' HB3' HD11 ' A' ' 61' ' ' LEU . 40.4 m-85 -67.78 -40.45 84.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -174.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -64.14 -37.61 88.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -66.09 -29.28 69.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.367 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 11' ' ' ILE . 74.3 mt -63.8 -51.26 72.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.484 ' HA ' HG12 ' A' ' 19' ' ' VAL . 44.4 m-85 -66.64 -27.03 67.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.734 177.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.22 -48.58 64.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.234 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 7.9 mptt -75.91 -31.63 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.025 -175.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 16' ' ' PHE . 10.0 p -71.33 -24.44 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.935 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -73.1 -26.67 61.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.766 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.467 HD22 ' N ' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -97.33 -49.78 4.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.185 0.517 . . . . 0.0 110.972 -179.114 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 33.0 t70 -85.36 -23.62 27.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.553 -173.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt 64.86 27.16 12.9 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.125 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.495 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 52.1 t-20 -86.38 94.26 9.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -69.63 -32.69 71.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.343 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.97 -48.86 78.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.933 0.397 . . . . 0.0 110.433 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -64.58 -40.33 95.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.366 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -57.89 -51.56 69.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.008 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -68.6 -25.01 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.474 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.9 m -66.52 -43.83 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.631 0.253 . . . . 0.0 110.496 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -71.02 -31.16 67.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.683 0.277 . . . . 0.0 110.968 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.97 -39.35 93.35 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 173.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.49 -30.38 70.58 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.235 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -96.26 -6.64 37.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.727 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -130.85 -58.55 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.834 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.508 HD21 ' HA ' ' A' ' 39' ' ' HIS . 6.5 t30 -87.16 88.54 7.72 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.081 0.467 . . . . 0.0 110.508 -178.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.36 -30.32 15.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.249 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.457 ' HB2' ' HA ' ' A' ' 54' ' ' LYS . 22.9 t -95.1 -94.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.508 ' HA ' HD21 ' A' ' 36' ' ' ASN . 51.1 p-80 -164.35 141.86 6.73 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.676 0.274 . . . . 0.0 111.387 -173.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.622 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 42.9 p90 -107.38 139.46 41.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 55.2 mt -101.46 110.94 29.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.111 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.688 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 20.0 t80 -101.75 122.21 43.51 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.846 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -95.58 112.2 23.97 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 108' ' ' TRP . 7.0 mp -63.94 149.54 47.01 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.711 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.752 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 72.26 -53.45 0.69 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.956 0.785 . . . . 0.0 111.791 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 m -66.21 -28.74 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.861 0.362 . . . . 0.0 110.795 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 6.2 mm-40 69.01 13.08 8.76 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.919 175.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -83.95 135.38 34.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.087 0.47 . . . . 0.0 110.342 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 6.2 t -120.31 122.21 67.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.025 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.457 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 11.0 m-70 -109.91 92.78 4.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.879 0.371 . . . . 0.0 110.108 177.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.512 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 56.9 mt -91.25 102.31 13.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.519 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 38' ' ' SER . 21.3 t -87.28 103.7 13.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 174.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.7 mt -51.93 -55.78 18.17 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.464 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' HB3' ' OD1' ' A' ' 56' ' ' ASP . 24.8 ttpp -148.94 -64.21 0.23 Allowed 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -167.59 19.21 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.816 172.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' OD1' ' HB3' ' A' ' 54' ' ' LYS . 1.3 m-20 -98.05 -73.35 0.62 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.83 -171.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -129.01 154.48 46.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.042 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 30.6 m -116.37 119.64 36.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.324 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.512 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 4.3 t -82.04 114.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.659 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 5.3 tt -100.37 113.33 25.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 12' ' ' PHE . 17.3 mt -117.57 164.57 14.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.436 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 25.4 ttmm -131.69 114.22 14.51 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 169.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.92 -56.78 16.95 Favored Glycine 0 C--N 1.329 0.194 0 O-C-N 123.635 0.584 . . . . 0.0 113.392 -174.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 98.0 mt -136.8 -76.96 0.41 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.296 0.57 . . . . 0.0 110.302 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -161.88 -62.07 0.05 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.145 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.534 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 2.3 t30 -171.29 133.45 0.84 Allowed 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.752 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 14.5 tt -149.69 151.31 12.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -175.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.549 HG12 ' H ' ' A' ' 70' ' ' VAL . 46.7 t 73.01 154.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 O-C-N 123.301 0.376 . . . . 0.0 110.429 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 31.1 t -93.84 -32.62 13.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.641 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 87.9 t 69.88 134.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.671 0.607 . . . . 0.0 110.913 -175.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -135.63 134.34 39.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.076 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -82.63 32.35 0.41 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -174.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -84.35 63.81 7.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.486 0.66 . . . . 0.0 109.273 173.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 103' ' ' ALA . 74.6 mttt -58.86 112.35 1.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.453 -174.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -147.35 126.63 13.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' HG3' ' HD1' ' A' ' 128' ' ' PHE . 62.7 ttt-85 -70.0 -35.61 74.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.461 -177.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.58 -39.72 80.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.177 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.7 -34.69 76.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.73 0.3 . . . . 0.0 110.584 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.48 -46.27 96.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -59.22 -49.89 76.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.387 176.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -57.66 -44.5 85.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.31 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -67.22 -41.25 86.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -61.44 -43.29 99.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.395 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -72.88 -29.1 62.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.827 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -57.78 -47.45 82.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.135 0.493 . . . . 0.0 109.751 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.3 tp -69.77 -49.15 55.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.095 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -67.36 -17.82 64.89 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.3 t -100.44 -58.29 1.93 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.144 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.69 -23.86 27.24 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -173.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 54.97 74.57 0.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.203 0.525 . . . . 0.0 110.098 -171.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.5 pt -79.13 -113.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.627 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.732 ' HB ' ' OE1' ' A' ' 95' ' ' GLU . 29.7 m -151.63 155.28 38.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.722 -0.474 . . . . 0.0 109.722 178.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -58.01 -33.27 68.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.93 0.492 . . . . 0.0 111.827 -173.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -67.38 -57.4 6.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.732 ' OE1' ' HB ' ' A' ' 92' ' ' THR . 23.5 mp0 -60.77 -35.66 76.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.825 -177.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -60.19 -45.01 94.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.529 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 97' ' ' ARG . 58.1 mtm180 -78.7 -23.56 45.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.856 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.458 HH11 ' HD2' ' A' ' 98' ' ' ARG . 60.7 mtt180 -63.5 -46.54 85.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.824 0.345 . . . . 0.0 110.349 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -70.9 -33.33 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.777 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.41 -44.25 88.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.482 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.641 ' HB1' ' HA ' ' A' ' 70' ' ' VAL . . . -68.18 -23.71 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 178.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -71.32 -22.84 61.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.41 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.651 ' O ' ' HA ' ' A' ' 74' ' ' LYS . . . -94.58 8.2 43.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.995 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.97 5.22 83.76 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.988 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.418 HG11 ' HD1' ' A' ' 119' ' ' TYR . 57.5 t -75.2 103.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.176 0.512 . . . . 0.0 110.711 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -106.79 -30.26 9.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.133 178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.999 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 0.9 OUTLIER -106.23 104.14 13.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.478 -177.605 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.688 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.6 t90 -97.25 109.41 22.17 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.14 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.8 t -117.2 105.75 18.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.887 0.375 . . . . 0.0 111.081 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.622 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 57.9 m -92.35 108.95 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 66.3 t30 -100.95 93.71 5.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.001 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 45.0 mm -66.18 -25.25 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.108 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -58.02 -23.12 52.95 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.209 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 86.6 mt-10 -130.64 6.34 4.75 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.544 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 56.1 38.12 29.55 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.131 0.491 . . . . 0.0 111.157 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 59.3 mttp -131.79 138.78 48.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.645 -176.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.45 ' HG2' HG23 ' A' ' 110' ' ' THR . 74.5 mtm180 -104.57 114.46 28.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 173.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -95.76 120.04 35.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.615 -176.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.418 ' HD1' HG11 ' A' ' 105' ' ' VAL . 95.3 m-85 -97.08 106.5 18.85 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.537 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.999 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 96.3 m-85 -106.47 151.26 25.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.882 179.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 t -85.97 176.07 8.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -63.84 -19.88 65.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.22 0.534 . . . . 0.0 110.318 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.74 0.94 28.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.907 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 69.7 15.56 8.05 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.204 0.601 . . . . 0.0 111.399 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.5 m -88.56 136.9 32.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.008 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.409 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . 51.7 tp -88.14 119.81 28.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.858 0.361 . . . . 0.0 110.76 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.58 -45.08 7.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.118 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.423 ' HD1' ' HG3' ' A' ' 76' ' ' ARG . 20.1 t80 -139.45 133.11 30.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.55 -172.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 55.6 m -108.0 107.14 17.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.521 171.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -102.67 140.39 37.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.203 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.7 t -105.91 124.19 49.17 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.6 pt -83.14 82.23 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.528 0.68 . . . . 0.0 111.497 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.367 178.185 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 CA--C 1.51 -0.593 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.473 ' O ' ' HD1' ' A' ' 12' ' ' PHE . 35.6 tt0 -61.11 -20.22 62.38 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 172.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 HD23 ' A' ' 61' ' ' LEU . 22.1 t -67.94 -36.89 77.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.825 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.4 -40.6 88.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.805 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.8 mp -64.95 -53.69 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.816 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.62 ' HB3' HD11 ' A' ' 61' ' ' LEU . 54.1 m-85 -59.78 -49.47 77.6 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 -177.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 61.5 tttm -62.28 -38.93 91.23 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.612 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -55.67 -38.48 69.68 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.506 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 55.7 mt -60.35 -50.35 80.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.365 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.514 ' HA ' HG12 ' A' ' 19' ' ' VAL . 82.6 m-85 -68.56 -36.35 78.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.628 -177.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.419 ' OD2' ' HG2' ' A' ' 13' ' ' LYS . 50.8 m-20 -59.04 -41.18 87.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 0.0 111.074 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -76.93 -44.38 31.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.368 -175.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 16' ' ' PHE . 8.6 p -66.81 -25.28 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.603 0.239 . . . . 0.0 111.086 -177.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -52.7 -47.46 67.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.27 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -104.57 -44.34 4.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.654 -172.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD2' ' HB3' ' A' ' 24' ' ' ASN . 32.1 t70 -82.44 -28.28 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.355 -171.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.7 mt 65.13 33.65 9.27 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.366 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.401 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . 13.3 p-10 -79.79 84.94 5.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.749 0.785 . . . . 0.0 110.781 178.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 2.5 m-30 -70.47 -30.55 67.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.953 -175.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.93 -35.24 80.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.731 0.301 . . . . 0.0 110.925 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.506 ' CZ3' ' HA ' ' A' ' 15' ' ' ILE . 43.1 t90 -83.85 -37.99 21.76 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 174.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 25' ' ' TYR . 46.6 t80 -53.67 -56.69 15.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.259 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -71.91 -27.44 62.83 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.646 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.7 t -64.62 -51.32 63.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -68.42 -38.41 81.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.294 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.434 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 32.7 mt -58.19 -47.57 83.03 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.537 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.578 ' HA ' HG21 ' A' ' 112' ' ' ILE . 33.1 ttpt -70.16 -22.83 62.93 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.085 0.469 . . . . 0.0 111.059 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -91.5 -5.82 53.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.129 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 78.9 m-70 -130.51 -57.29 1.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.636 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -86.63 90.24 8.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.816 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.526 HG11 ' HE2' ' A' ' 54' ' ' LYS . 15.7 t -87.62 -7.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.786 -177.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.7 t -110.49 -86.13 0.54 Allowed 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.78 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -173.44 151.0 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -175.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.61 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 40.9 p90 -126.28 144.71 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 41' ' ' ILE . 4.3 mp -107.05 111.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.802 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.825 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.3 t80 -96.74 117.04 30.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.241 178.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -90.34 116.31 28.2 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.24 170.74 13.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.781 -0.19 . . . . 0.0 110.673 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 72.04 -51.12 0.7 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.431 0.693 . . . . 0.0 111.791 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.1 p -91.63 -25.53 19.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.832 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 66.18 29.26 9.86 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.679 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -85.35 131.77 34.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.626 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.6 t -119.19 131.2 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.416 -176.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -114.88 105.34 12.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.605 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.457 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.5 mp -102.31 112.08 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.9 t -92.41 120.56 41.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 mt -77.28 -174.48 3.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.609 0.718 . . . . 0.0 112.302 -175.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HE2' HG11 ' A' ' 37' ' ' VAL . 39.7 ttmt -67.99 -27.94 67.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.651 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -133.01 68.62 1.5 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.186 0.517 . . . . 0.0 110.671 -174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.3 t70 78.97 -51.48 0.45 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.719 -1.128 . . . . 0.0 113.535 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -52.91 130.46 33.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.174 0.511 . . . . 0.0 112.059 -172.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.0 m -114.52 126.49 55.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.683 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.6 139.92 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.892 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.459 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 8.5 mp -118.26 115.23 24.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.813 0.339 . . . . 0.0 111.086 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' ' 12' ' ' PHE . 20.0 mt -103.31 167.02 10.09 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 174.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -152.12 124.68 8.34 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.581 176.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.52 -174.38 48.43 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 170.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -169.58 53.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.523 0.678 . . . . 0.0 111.882 -175.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -105.47 -23.79 12.74 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 170.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 61.78 88.53 0.09 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.706 174.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 60.3 mt -110.54 87.3 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.059 0.456 . . . . 0.0 109.926 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.68 71.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.791 0.805 . . . . 0.0 109.64 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -126.6 18.92 7.39 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.001 177.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.581 HG22 ' HB1' ' A' ' 101' ' ' ALA . 39.4 t -75.33 115.21 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.648 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.446 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 31.2 mmmt -77.38 134.25 38.49 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 174.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -80.18 34.06 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.575 0.703 . . . . 0.0 110.763 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 71' ' ' LYS . 54.6 m -99.76 -164.37 1.12 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.116 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.612 ' HB2' HD21 ' A' ' 127' ' ' LEU . 21.4 pttm -158.2 101.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 111.211 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -137.07 148.25 46.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.877 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.565 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 11.7 ptm180 -100.32 -22.17 15.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.251 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -67.91 -41.48 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.68 0.276 . . . . 0.0 111.096 -172.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 28.4 tp -64.27 -27.62 69.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.024 0.44 . . . . 0.0 109.975 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 76' ' ' ARG . 51.0 mt -72.23 -50.09 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 174.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.579 ' HG2' ' CE1' ' A' ' 128' ' ' PHE . 38.1 mt-10 -58.14 -42.99 87.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.35 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.1 p -67.81 -37.45 82.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.053 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.462 HG21 ' HB2' ' A' ' 99' ' ' ASN . 67.1 m -73.1 -34.3 66.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.83 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.2 t -61.98 -47.35 85.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.33 0.586 . . . . 0.0 109.487 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.87 -34.98 78.52 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.149 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -67.73 -30.25 69.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.651 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 62.0 tp -74.17 -30.26 62.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.117 0.484 . . . . 0.0 110.259 177.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -76.62 -44.15 35.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.191 0.52 . . . . 0.0 110.331 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.5 t -76.42 -63.41 1.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.639 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -84.53 -30.37 25.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.194 -173.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 37.0 tt0 58.12 62.03 2.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.7 0.762 . . . . 0.0 110.621 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.3 pt -71.88 169.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.088 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.73 162.19 29.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.173 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -57.61 -41.91 82.24 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.275 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.52 ' HA ' ' HG2' ' A' ' 97' ' ' ARG . 4.8 pt20 -70.49 -24.91 62.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.651 -178.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -34.99 34.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.867 0.365 . . . . 0.0 110.228 177.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -62.89 -48.84 77.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.001 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.52 ' HG2' ' HA ' ' A' ' 94' ' ' GLN . 33.1 ptt180 -68.43 -24.51 64.74 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.775 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -59.77 -50.03 75.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.116 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.462 ' HB2' HG21 ' A' ' 82' ' ' THR . 44.5 m-80 -71.69 -31.72 67.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.414 -177.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.35 -39.03 88.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.75 0.31 . . . . 0.0 110.674 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.581 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -61.49 -36.02 79.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.403 0.621 . . . . 0.0 110.088 175.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -69.1 -21.87 64.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.732 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 78' ' ' LEU . . . -89.82 -8.46 52.02 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.98 0.419 . . . . 0.0 111.08 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 101.38 8.75 46.08 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.848 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.1 102.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.117 0.484 . . . . 0.0 110.361 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -105.64 -26.82 11.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.964 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.929 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 19.8 mmt180 -102.8 92.56 4.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.072 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.825 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.9 t90 -87.79 95.82 10.23 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.424 HG12 ' OD1' ' A' ' 111' ' ' ASN . 17.8 t -110.47 103.47 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.945 0.402 . . . . 0.0 110.665 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.61 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 28.0 m -96.6 112.65 24.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.874 0.369 . . . . 0.0 110.294 177.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.424 ' OD1' HG12 ' A' ' 109' ' ' VAL . 3.0 m-20 -97.89 108.27 20.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.068 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.578 HG21 ' HA ' ' A' ' 33' ' ' LYS . 49.5 mm -73.47 -31.12 31.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -64.6 -40.63 95.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.404 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -86.78 -10.82 52.68 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.161 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 62.89 32.6 15.65 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.827 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 61.7 mttp -143.23 150.36 39.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.171 0.51 . . . . 0.0 112.091 -173.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.537 ' HD3' ' OH ' ' A' ' 119' ' ' TYR . 95.3 mtt180 -95.83 114.22 25.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.705 173.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.41 119.88 39.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.991 0.424 . . . . 0.0 110.457 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.537 ' OH ' ' HD3' ' A' ' 117' ' ' ARG . 45.9 m-85 -107.22 109.33 21.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.945 0.402 . . . . 0.0 110.679 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.929 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 77.2 m-85 -105.18 144.48 31.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.709 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.666 ' HB ' HD11 ' A' ' 127' ' ' LEU . 5.6 t -77.71 174.01 11.43 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -61.84 -19.45 62.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.536 0.684 . . . . 0.0 109.831 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.551 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 31.7 t70 -78.81 2.17 20.81 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.403 179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.551 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 1.7 t30 77.1 -9.86 1.45 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.24 0.543 . . . . 0.0 111.489 178.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.0 m -76.68 135.9 39.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.971 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.5 tp -75.75 127.39 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.424 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.666 HD11 ' HB ' ' A' ' 121' ' ' THR . 81.0 mt -101.24 -59.24 1.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 -177.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.579 ' CE1' ' HG2' ' A' ' 80' ' ' GLU . 57.0 t80 -138.53 157.32 46.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.392 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 31.9 m -144.16 108.5 4.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.686 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.413 ' HG3' ' HB2' ' A' ' 117' ' ' ARG . 8.4 pt-20 -105.76 128.58 53.79 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 18.9 p -86.39 141.36 29.22 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.897 0.38 . . . . 0.0 111.228 -175.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 40.2 pt -84.76 0.29 5.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.776 0.798 . . . . 0.0 109.21 174.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.977 173.555 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.462 ' OD1' HG23 ' A' ' 9' ' ' VAL . 9.9 t70 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.534 ' HA ' HD13 ' A' ' 11' ' ' ILE . 9.3 tt0 -68.99 -19.61 64.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.742 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG23 ' OD1' ' A' ' 7' ' ' ASP . 69.3 t -54.72 -39.74 48.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.72 174.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.9 t -59.74 -45.74 94.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.403 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.54 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -62.84 -53.38 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.733 -177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.576 ' HB3' HD11 ' A' ' 61' ' ' LEU . 23.0 m-85 -62.33 -48.67 78.82 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' HB2' HD22 ' A' ' 61' ' ' LEU . 24.0 ttpp -63.05 -32.52 73.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.363 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -69.5 -33.56 73.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 11' ' ' ILE . 82.7 mt -63.82 -54.06 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.199 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.508 ' HA ' HG12 ' A' ' 19' ' ' VAL . 75.6 m-85 -64.38 -32.74 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.235 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 9.1 t0 -60.6 -47.49 85.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.311 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -68.2 -53.29 25.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.267 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 16' ' ' PHE . 7.4 p -65.33 -19.13 25.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -175.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.599 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 14.4 ttp85 -55.27 -48.54 73.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.207 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -103.07 -37.9 7.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.389 -176.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.41 -29.83 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.077 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 mt 61.04 32.27 19.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.932 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -77.74 70.43 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.68 0.753 . . . . 0.0 110.212 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 51.7 m-85 -59.82 -23.27 63.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.631 -178.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.434 ' CD ' ' H ' ' A' ' 26' ' ' GLN . 20.3 mp0 -60.98 -41.69 96.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.003 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.8 t90 -83.33 -31.45 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.134 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.525 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 69.4 t80 -60.5 -49.68 76.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.555 177.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -66.7 -33.9 76.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.063 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 p -72.6 -43.12 63.74 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.996 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -66.24 -33.05 74.87 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.648 0.261 . . . . 0.0 111.264 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 74.4 mt -60.55 -53.6 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.254 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HD3' HG23 ' A' ' 112' ' ' ILE . 34.4 mmtp -66.76 -14.99 63.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.612 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -97.33 -13.62 21.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -130.84 -61.29 0.95 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.386 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.43 ' O ' HG13 ' A' ' 112' ' ' ILE . 35.1 t30 -79.58 89.99 5.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.883 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.617 HG21 ' HD3' ' A' ' 54' ' ' LYS . 44.6 t -77.79 -31.45 17.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.477 -178.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.3 t -97.56 -79.26 0.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.691 -175.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -168.12 147.28 4.62 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.66 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.521 ' HB2' HG12 ' A' ' 51' ' ' ILE . 32.0 p90 -122.09 131.09 53.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 171.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.553 ' HB ' ' HB3' ' A' ' 50' ' ' HIS . 28.0 mt -106.77 108.62 25.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.227 -177.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.755 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -89.3 111.34 22.14 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -87.36 95.89 10.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' H ' HD12 ' A' ' 44' ' ' LEU . 6.9 mp -54.47 -49.52 69.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -170.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.469 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . . . -68.99 -9.53 52.84 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -173.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -115.82 -9.35 11.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.316 0.579 . . . . 0.0 109.804 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 51.91 31.31 8.28 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.307 -173.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.19 127.39 45.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.363 177.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.557 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 7.9 t -100.53 107.55 21.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.87 179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 16.6 t-160 -91.37 85.49 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.294 -177.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.521 HG12 ' HB2' ' A' ' 40' ' ' TYR . 28.9 mt -93.54 111.85 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.304 -175.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.3 t -104.28 118.05 50.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.9 mt -78.48 -164.93 0.62 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.336 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.617 ' HD3' HG21 ' A' ' 37' ' ' VAL . 14.6 pttp -66.38 -70.35 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.122 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.411 ' H ' ' HG3' ' A' ' 54' ' ' LYS . 20.6 m120 -144.73 15.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.41 -72.24 0.42 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.667 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -167.22 -172.14 1.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.384 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 m -117.66 136.82 53.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.04 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.2 t -112.99 122.68 67.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.557 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 6.3 mp -115.52 99.14 7.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.654 0.264 . . . . 0.0 110.583 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 12' ' ' PHE . 23.8 mt -82.27 132.79 35.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.929 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -104.11 116.28 31.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.108 0.48 . . . . 0.0 110.275 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.04 -152.73 12.1 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.633 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.9 mt -71.12 -25.91 62.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.615 0.245 . . . . 0.0 110.96 -175.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HE2' ' HB2' ' A' ' 65' ' ' LYS . 30.3 mtmm 65.48 23.96 11.88 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.411 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.468 ' C ' HD22 ' A' ' 66' ' ' ASN . 0.2 OUTLIER -98.48 -38.21 9.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.371 -177.183 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 67' ' ' ILE . 2.0 mp -78.17 82.65 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 122.206 1.003 . . . . 0.0 109.668 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.3 p -108.66 19.45 5.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 122.695 1.236 . . . . 0.0 108.429 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 p -84.93 26.03 0.88 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.859 -1.519 . . . . 0.0 111.989 -172.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.89 113.03 4.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -95.14 159.33 15.06 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.687 -173.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.628 ' HA ' ' HE1' ' A' ' 122' ' ' PHE . 11.9 p90 -75.81 77.06 2.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.139 0.971 . . . . 0.0 110.253 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.6 m -134.5 170.81 15.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.171 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -157.54 86.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.285 0.564 . . . . 0.0 110.902 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -133.98 137.38 44.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.461 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.452 ' HB2' ' HB2' ' A' ' 128' ' ' PHE . 35.8 ptt180 -100.81 -16.83 17.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.33 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -74.39 -35.57 63.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.534 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.479 HD21 ' HD3' ' A' ' 102' ' ' LYS . 48.1 tp -60.26 -43.3 96.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.826 0.346 . . . . 0.0 110.125 174.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.35 -48.16 90.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.157 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -55.43 -45.87 76.76 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.8 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.1 m -65.96 -38.51 88.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.979 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.562 HG22 ' CD1' ' A' ' 96' ' ' TYR . 31.2 m -70.31 -37.51 74.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.748 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 t -58.86 -47.72 83.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.329 0.585 . . . . 0.0 109.472 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -62.68 -37.42 86.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.888 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.64 -46.45 88.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.623 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 96' ' ' TYR . 4.4 mm? -67.64 -41.45 83.82 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.419 0.628 . . . . 0.0 109.905 177.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -58.03 -48.47 79.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.015 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.4 t -93.44 -38.75 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -91.32 -28.18 17.91 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -170.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 59.03 49.93 8.87 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.385 0.428 . . . . 0.0 110.755 -176.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.508 HG13 HD13 ' A' ' 86' ' ' LEU . 2.9 pt -72.49 -95.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.411 ' H ' HG13 ' A' ' 91' ' ' ILE . 41.7 m -155.84 142.48 18.74 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.599 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 55.9 t80 -63.59 -35.03 79.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.838 -173.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 98' ' ' ARG . 1.5 pp0? -69.38 -27.92 65.73 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.786 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.483 ' HB3' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -68.15 -41.24 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.517 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.562 ' CD1' HG22 ' A' ' 82' ' ' THR . 77.7 t80 -56.24 -47.39 78.59 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.196 174.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -60.55 -39.67 88.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.227 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 22.0 mtp180 -65.78 -39.56 91.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 111.437 -177.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -68.35 -31.94 71.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -68.02 -40.74 82.87 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.492 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.28 -35.79 81.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.204 0.526 . . . . 0.0 110.283 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.479 ' HD3' HD21 ' A' ' 78' ' ' LEU . 77.7 tttt -65.02 -32.02 73.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.606 176.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.437 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -79.91 -14.21 58.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.114 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.97 11.12 35.29 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.555 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 81.1 t -76.37 122.43 30.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.11 0.481 . . . . 0.0 110.662 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 45' ' ' ALA . 30.4 t80 -121.55 -25.67 5.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.16 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.791 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 5.5 mpt_? -104.09 90.29 3.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.183 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.755 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 3.0 t90 -88.72 82.56 6.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 174.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.545 HG22 HG23 ' A' ' 41' ' ' ILE . 19.5 t -96.33 96.81 5.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.432 -176.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.46 HG23 ' HG2' ' A' ' 117' ' ' ARG . 93.9 m -90.1 102.98 15.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.251 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 114' ' ' GLU . 9.8 m120 -88.98 113.66 24.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.324 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.57 HG23 ' HD3' ' A' ' 33' ' ' LYS . 31.7 mm -76.78 -46.74 29.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.793 -177.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -63.91 -33.21 75.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.086 0.47 . . . . 0.0 110.315 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.582 ' HB2' ' HB3' ' A' ' 111' ' ' ASN . 8.3 mp0 -86.08 -12.53 49.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.804 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 63.08 30.32 16.19 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.666 177.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 54.3 mttp -144.11 141.84 30.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.207 0.527 . . . . 0.0 111.945 -177.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.461 ' NH2' ' HG3' ' A' ' 130' ' ' GLU . 85.3 mtm180 -98.43 108.79 21.57 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.415 173.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -94.99 113.97 25.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -100.14 105.45 17.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.891 0.377 . . . . 0.0 110.556 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.791 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 75.4 m-85 -103.48 148.03 26.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.201 178.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.514 ' HB ' HD11 ' A' ' 127' ' ' LEU . 10.0 t -76.51 179.74 5.73 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.628 ' HE1' ' HA ' ' A' ' 72' ' ' PHE . 47.5 p90 -67.47 -16.42 64.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.143 0.497 . . . . 0.0 110.594 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.483 ' H ' HG23 ' A' ' 121' ' ' THR . 33.1 t70 -83.46 -1.02 52.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.391 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 69.49 16.48 8.17 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.576 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.4 m -84.19 132.82 34.63 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.3 tp -73.23 106.94 5.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.514 HD11 ' HB ' ' A' ' 121' ' ' THR . 77.0 mt -80.94 -52.45 7.43 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.152 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.452 ' HB2' ' HB2' ' A' ' 76' ' ' ARG . 71.2 t80 -154.1 153.82 32.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.822 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 10.0 t -133.44 122.08 23.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.241 0.543 . . . . 0.0 109.982 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.461 ' HG3' ' NH2' ' A' ' 117' ' ' ARG . 8.0 tp10 -109.6 116.83 32.48 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.407 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.527 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 20.2 m -69.69 147.3 50.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.11 0.481 . . . . 0.0 111.604 -174.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 112' ' ' ILE . 20.4 pt -98.82 122.42 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 170.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -168.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -55.13 -36.51 65.83 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.28 0.363 . . . . 0.0 110.912 -177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.447 HG13 HD23 ' A' ' 61' ' ' LEU . 72.9 t -62.95 -38.58 82.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.024 0.44 . . . . 0.0 110.86 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.1 -41.75 93.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.747 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.0 mp -64.87 -52.32 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.634 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.429 ' HB3' HD11 ' A' ' 61' ' ' LEU . 40.1 m-85 -64.01 -41.19 97.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -70.53 -30.65 67.46 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.152 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.45 -32.42 74.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.048 0.451 . . . . 0.0 109.797 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.496 ' HA ' ' HZ2' ' A' ' 27' ' ' TRP . 75.8 mt -60.77 -48.9 86.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.165 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.47 ' HA ' HG12 ' A' ' 19' ' ' VAL . 78.8 m-85 -69.86 -31.4 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.015 178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 8.8 t0 -65.28 -46.37 80.7 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.916 ' HE2' ' HA ' ' A' ' 18' ' ' LYS . 7.3 mmpt? -60.77 -44.79 96.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.678 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.57 ' O ' HD23 ' A' ' 23' ' ' LEU . 11.4 p -69.82 -32.58 52.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.713 -175.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.435 ' HD2' ' C ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -80.6 -19.62 45.08 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.815 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -94.21 -51.0 5.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.275 0.559 . . . . 0.0 110.877 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.623 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . 2.6 m-20 -91.37 -30.63 16.43 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.378 -171.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 19' ' ' VAL . 52.9 mt 66.65 10.28 7.31 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 176.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.623 ' OD1' ' HB3' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -79.44 84.72 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.239 -0.585 . . . . 0.0 109.891 172.251 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.456 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . 97.7 m-85 -60.56 -25.19 65.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.046 -175.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.662 HE21 ' HA ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -56.31 -31.33 63.6 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 110.548 179.076 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.496 ' HZ2' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -76.56 -39.47 52.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.072 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.532 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 76.9 t80 -77.91 -37.64 47.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.103 -167.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 25' ' ' TYR . 62.4 m-85 -70.31 -22.92 62.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 0.0 110.071 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 m -72.88 -37.65 67.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.541 173.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' HG3' HG23 ' A' ' 15' ' ' ILE . 62.9 mm-40 -61.45 -45.94 92.17 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.571 173.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 90.8 mt -59.5 -48.95 79.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.769 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -71.83 -21.93 61.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.773 0.321 . . . . 0.0 111.371 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 ttp85 -93.34 -27.79 16.57 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -116.19 -48.55 2.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.168 -0.332 . . . . 0.0 111.618 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -82.15 80.24 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.365 0.603 . . . . 0.0 109.881 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -71.79 -33.32 47.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.268 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 13.0 t -97.07 -85.08 0.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.722 -176.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -174.66 142.47 0.72 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.679 0.276 . . . . 0.0 110.614 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.441 ' HB2' HG13 ' A' ' 51' ' ' ILE . 38.2 p90 -113.28 143.71 43.96 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.143 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.419 HG21 HH21 ' A' ' 107' ' ' ARG . 4.4 mp -111.99 114.34 46.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.68 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.823 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.8 t80 -92.89 133.5 36.03 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -109.11 99.79 9.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.28 0.562 . . . . 0.0 109.715 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 66.0 mt -69.94 -8.38 48.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.212 -172.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' A' ' 70' ' ' VAL . . . -82.48 -6.72 59.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.761 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.552 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 2.7 p -142.39 -3.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.331 0.395 . . . . 0.0 111.534 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HA ' ' HE1' ' A' ' 42' ' ' TYR . 13.1 mm-40 66.41 16.84 10.54 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.221 -171.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.79 155.11 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.911 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.47 142.38 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.602 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -120.16 99.85 6.84 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 172.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.8 mp -93.31 110.46 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.279 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 38' ' ' SER . 19.4 t -90.35 112.08 24.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 78.9 mt -71.21 -177.46 1.73 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.499 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -41.31 -58.02 1.97 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.622 0.576 . . . . 0.0 111.976 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -168.79 35.74 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -104.64 -72.82 0.69 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.996 -171.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -143.69 156.79 44.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.434 -174.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.488 HG23 HG22 ' A' ' 52' ' ' VAL . 24.5 m -107.81 94.98 5.37 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 172.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.8 t -72.91 117.13 16.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.696 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.716 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.4 pt? -99.59 109.14 21.67 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.594 0.711 . . . . 0.0 110.729 178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.447 HD23 HG13 ' A' ' 9' ' ' VAL . 54.1 mt -93.46 133.2 36.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.19 -0.913 . . . . 0.0 109.721 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -99.3 114.7 27.69 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.83 -75.85 0.83 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.731 -0.668 . . . . 0.0 113.167 -173.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.9 tm? -110.87 -75.69 0.62 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -178.74 -64.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.552 ' O ' ' HA ' ' A' ' 46' ' ' THR . 17.2 m120 -129.27 -79.48 0.56 Allowed 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.489 174.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 66' ' ' ASN . 8.9 tp 48.82 34.84 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 122.034 0.921 . . . . 0.0 111.709 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.51 102.48 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.808 0.813 . . . . 0.0 111.292 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.8 m -109.71 11.06 24.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.348 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.611 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 48.8 t -70.93 105.96 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.348 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -86.11 139.97 30.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.428 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -69.41 85.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.309 0.576 . . . . 0.0 110.048 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.462 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 73.9 m -153.66 168.62 25.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.801 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HE2' ' OD1' ' A' ' 123' ' ' ASP . 67.7 mttt -134.02 51.15 2.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -86.98 116.97 25.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.577 -171.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -88.36 -18.05 29.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.506 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -83.63 -33.83 25.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.847 0.356 . . . . 0.0 110.046 -176.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.2 tp -65.71 -35.55 81.07 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.07 -48.97 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.854 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -55.63 -48.61 74.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.697 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.4 m -60.65 -45.01 95.7 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.965 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.0 m -64.29 -43.84 93.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.876 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.6 t -59.44 -50.71 72.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.892 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -58.88 -44.92 91.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.858 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.778 ' HE2' HG21 ' A' ' 91' ' ' ILE . 87.4 tttt -60.56 -38.06 83.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 -178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.553 ' HA ' HG12 ' A' ' 91' ' ' ILE . 51.5 tp -72.4 -53.0 13.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.037 0.446 . . . . 0.0 111.368 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -73.69 -23.56 59.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.891 -172.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.6 m -98.68 -47.87 5.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.6 mtt-85 -99.7 4.45 45.53 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -173.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 74.11 -56.97 0.63 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.083 0.553 . . . . 0.0 112.337 173.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.778 HG21 ' HE2' ' A' ' 85' ' ' LYS . 35.3 pt 34.82 -124.96 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.266 1.026 . . . . 0.0 112.989 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -147.87 142.2 26.27 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.456 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 61.3 t80 -59.22 -29.12 67.28 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.304 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -62.55 -47.06 85.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.093 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -64.48 -37.65 88.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.063 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.49 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 71.3 t80 -54.29 -53.04 59.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.883 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.456 ' HD3' ' CE2' ' A' ' 93' ' ' PHE . 17.6 mtm180 -64.29 -37.82 88.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.0 0.428 . . . . 0.0 110.785 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -46.82 76.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.137 -175.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -69.53 -27.18 64.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.132 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 96' ' ' TYR . 79.2 mt -63.12 -45.25 92.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.288 175.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.611 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -61.81 -33.75 74.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.548 0.69 . . . . 0.0 110.189 176.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -69.18 -19.03 63.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.665 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.72 -16.92 27.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.79 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 117.77 2.72 16.66 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.655 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.25 116.52 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.235 0.541 . . . . 0.0 110.681 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.529 ' HB3' ' HA ' ' A' ' 122' ' ' PHE . 55.7 t80 -113.56 -26.83 8.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.437 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 1.008 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 53.1 mmm-85 -113.02 99.37 7.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.352 . . . . 0.0 110.962 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.823 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.2 t90 -91.94 101.6 14.17 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 174.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.5 t -110.85 108.09 24.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.44 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 58.8 m -104.08 105.78 16.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.68 176.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -102.59 115.58 30.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.1 mm -76.32 -23.82 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.435 -173.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -59.86 -30.8 69.22 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.915 0.388 . . . . 0.0 110.837 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -112.73 -6.03 13.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.607 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 58.92 39.85 23.25 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.421 0.629 . . . . 0.0 110.341 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -119.61 143.28 47.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.012 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.406 ' HG2' ' OG1' ' A' ' 110' ' ' THR . 49.6 mtt180 -111.49 109.96 20.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.374 171.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -90.99 126.2 36.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.727 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -109.76 108.72 19.17 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.857 0.361 . . . . 0.0 110.352 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 1.008 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 63.3 m-85 -102.31 145.47 29.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.043 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.77 ' HB ' HD11 ' A' ' 127' ' ' LEU . 2.4 t -69.93 170.92 10.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.761 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.529 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 72.7 t80 -58.3 -37.12 74.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.42 -177.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.433 ' OD1' ' HE2' ' A' ' 74' ' ' LYS . 8.5 p-10 -83.72 5.8 23.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.201 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 69.95 92.24 0.09 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 111.809 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.6 t -167.55 143.91 4.2 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -74.61 118.95 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.958 -173.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.77 HD11 ' HB ' ' A' ' 121' ' ' THR . 83.3 mt -101.98 -56.08 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.456 178.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -135.26 154.25 51.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.06 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.2 m -138.25 103.24 4.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.007 0.432 . . . . 0.0 110.152 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -94.86 109.52 21.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.568 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 10.4 t -82.48 123.32 29.06 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.2 pt -74.77 75.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.942 0.877 . . . . 0.0 111.014 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-N 114.087 -1.415 . . . . 0.0 107.415 178.183 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -57.44 -31.87 66.34 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.499 HG13 ' HA ' ' A' ' 61' ' ' LEU . 58.3 t -59.62 -42.26 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.167 178.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.86 -46.17 97.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.257 -176.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 mp -61.19 -51.71 69.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.15 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.522 ' HB2' HD21 ' A' ' 61' ' ' LEU . 63.0 m-85 -67.1 -41.48 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.22 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG2' ' OD2' ' A' ' 17' ' ' ASP . 62.6 tttm -62.06 -38.17 87.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.3 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.515 HE21 ' HA ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -60.02 -35.93 76.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.446 -179.59 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.49 -45.64 96.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.977 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.541 ' HA ' HG12 ' A' ' 19' ' ' VAL . 84.6 m-85 -70.98 -37.59 72.72 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.146 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.555 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 10.2 m-20 -61.56 -39.15 90.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.02 0.438 . . . . 0.0 111.06 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -68.82 -52.38 30.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.067 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 16' ' ' PHE . 7.8 p -68.38 -22.83 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -171.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.619 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 34.9 ptt85 -71.66 -18.63 62.17 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.584 -0.446 . . . . 0.0 112.067 -176.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -120.41 -44.54 2.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.05 0.452 . . . . 0.0 110.902 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.9 -34.51 71.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.709 -176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 92' ' ' THR . 91.9 mt 63.72 20.06 12.04 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.834 173.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -79.29 87.3 4.98 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.056 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.536 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 72.1 m-85 -72.21 -16.96 61.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.372 -177.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -59.58 -44.4 93.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.222 0.534 . . . . 0.0 109.878 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -79.95 -36.97 35.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.168 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.536 ' HB3' ' HA ' ' A' ' 25' ' ' TYR . 48.0 t80 -58.16 -57.11 14.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.367 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -71.17 -26.68 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.586 0.232 . . . . 0.0 111.215 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 38.5 t -63.31 -47.95 80.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 109.99 176.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -70.6 -36.07 73.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.937 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 73.9 mt -58.48 -44.72 89.45 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.326 176.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.486 ' HD2' ' O ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -72.45 -21.17 61.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -177.201 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 30' ' ' SER . 58.8 mtm180 -100.94 -4.47 27.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -131.02 -57.22 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.297 0.57 . . . . 0.0 110.803 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -83.21 80.22 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.936 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.455 ' HB ' ' HA ' ' A' ' 54' ' ' LYS . 45.1 t -74.96 -25.19 18.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 50.4 m -96.88 -82.21 0.41 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.389 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 111' ' ' ASN . 37.5 p-80 -179.8 155.21 0.62 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.655 -175.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.604 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 44.8 p90 -123.02 144.43 49.27 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.525 HG23 HG22 ' A' ' 109' ' ' VAL . 4.6 mp -112.0 116.57 52.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.367 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 1.015 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.2 t80 -100.14 114.04 27.12 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.821 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -94.08 107.93 19.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.803 0.335 . . . . 0.0 110.433 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.96 160.68 31.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 63.93 12.47 6.85 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.344 0.593 . . . . 0.0 110.817 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.7 m -145.45 -33.34 0.36 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.728 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.705 ' HG3' HD13 ' A' ' 67' ' ' ILE . 5.2 mm-40 71.89 19.64 4.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.41 174.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -90.97 113.36 25.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 176.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 11.3 t -110.9 113.77 45.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.96 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -104.15 102.71 12.43 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.745 0.307 . . . . 0.0 110.888 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.1 mp -92.05 116.16 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.183 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 38' ' ' SER . 39.8 t -94.32 111.97 26.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.4 mt -72.11 -164.57 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.375 -177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 0.4 OUTLIER -55.66 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.932 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -140.97 15.51 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.434 ' OD1' ' HB3' ' A' ' 54' ' ' LYS . 4.4 m-20 -85.04 -77.37 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.239 -1.346 . . . . 0.0 111.102 -169.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -159.56 173.7 15.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.67 0.272 . . . . 0.0 110.82 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.7 m -102.26 127.22 49.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.051 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.1 t -100.25 116.62 43.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.127 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.736 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.7 pt? -102.22 112.37 25.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.354 0.597 . . . . 0.0 110.718 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 12' ' ' PHE . 31.7 mt -98.36 149.83 22.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.068 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -124.68 122.21 36.86 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 170.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.1 -68.58 1.61 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.645 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.647 ' HB2' HD11 ' A' ' 67' ' ' ILE . 90.6 mt -137.76 -73.84 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -175.5 -63.37 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.235 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -103.82 -86.45 0.45 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.536 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.705 HD13 ' HG3' ' A' ' 47' ' ' GLU . 4.3 mp 47.63 65.38 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-O 121.829 0.823 . . . . 0.0 110.25 -173.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 68' ' ' VAL . 7.7 p -79.12 82.9 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 122.189 0.995 . . . . 0.0 110.678 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 t -105.0 -1.54 25.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.792 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.1 t -85.41 129.36 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.736 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -110.93 147.27 35.0 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.22 84.07 0.75 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.152 0.501 . . . . 0.0 110.765 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.57 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 8.2 m -134.93 163.06 30.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.582 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -136.79 55.37 1.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.365 0.602 . . . . 0.0 109.512 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.535 ' OD1' ' HB3' ' A' ' 77' ' ' HIS . 27.6 t70 -108.55 102.5 11.57 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.797 -171.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.537 ' HA ' HD12 ' A' ' 79' ' ' ILE . 18.0 ttt-85 -66.4 -32.53 73.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.4 175.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.535 ' HB3' ' OD1' ' A' ' 75' ' ' ASP . 0.8 OUTLIER -50.99 -53.68 31.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.703 178.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 103' ' ' ALA . 40.1 tp -64.36 -35.94 82.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.486 0.184 . . . . 0.0 110.91 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 76' ' ' ARG . 67.8 mt -57.8 -55.27 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.007 0.432 . . . . 0.0 110.469 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.38 -46.37 86.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.261 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.2 m -59.01 -37.81 77.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.879 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.557 HG21 ' HB2' ' A' ' 99' ' ' ASN . 91.1 m -72.15 -38.98 69.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.247 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.446 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 17.5 t -62.14 -40.3 95.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.068 0.461 . . . . 0.0 109.858 176.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -64.93 -32.56 74.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.006 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.765 ' HD2' HD13 ' A' ' 91' ' ' ILE . 33.1 ttmt -65.37 -46.03 81.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.006 0.431 . . . . 0.0 110.256 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -67.43 -39.22 85.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.059 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.4 -20.81 64.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.904 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t -92.52 -59.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.363 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -100.31 -81.17 0.47 Allowed 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.301 -0.559 . . . . 0.0 112.216 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 170.92 -45.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.389 0.431 . . . . 0.0 111.17 -175.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.765 HD13 ' HD2' ' A' ' 85' ' ' LYS . 25.0 pt 37.2 -122.95 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.801 0.84 . . . . 0.0 112.525 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.466 ' HA ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -155.89 155.38 32.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 176.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.619 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 68.2 t80 -62.2 -34.76 77.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.98 0.419 . . . . 0.0 110.21 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -68.48 -40.77 80.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -61.81 -49.06 77.82 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.446 ' HE1' ' HA ' ' A' ' 83' ' ' SER . 52.2 t80 -56.38 -46.53 80.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.9 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.9 ttp180 -66.23 -38.98 89.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.38 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.9 ttm-85 -61.2 -46.18 91.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.443 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.557 ' HB2' HG21 ' A' ' 82' ' ' THR . 42.7 m-80 -66.96 -36.78 82.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.793 0.33 . . . . 0.0 111.001 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.35 -49.05 79.31 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.047 0.451 . . . . 0.0 110.242 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.61 83.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.916 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.9 -27.27 64.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.224 0.535 . . . . 0.0 110.757 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.439 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -80.33 -9.42 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.687 178.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.57 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 105.8 8.03 35.23 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.695 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 86.1 t -75.97 101.59 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 0.0 110.43 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -98.84 -26.23 14.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.843 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.902 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 6.5 ttm180 -121.26 97.42 5.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.659 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 1.015 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.1 t90 -91.49 102.35 15.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.246 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.525 HG22 HG23 ' A' ' 41' ' ' ILE . 31.0 t -113.32 107.69 23.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.002 0.429 . . . . 0.0 110.856 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.604 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 48.4 m -105.51 112.48 25.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.026 0.441 . . . . 0.0 110.434 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 39' ' ' HIS . 3.6 m-20 -96.75 109.49 22.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.462 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.2 mm -74.35 -31.27 28.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.705 176.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -67.07 -24.67 65.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.691 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -106.49 -8.14 17.21 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.706 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 54.1 40.49 31.69 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.971 0.415 . . . . 0.0 111.189 -173.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -141.93 141.54 32.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.234 0.54 . . . . 0.0 111.843 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.492 ' HG2' HG23 ' A' ' 110' ' ' THR . 60.8 mtm180 -101.81 112.55 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.773 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -98.55 128.65 44.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.279 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -113.51 110.71 20.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.902 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 82.8 m-85 -109.26 145.45 35.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.217 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.528 ' HB ' HD11 ' A' ' 127' ' ' LEU . 9.9 t -83.81 -179.77 7.37 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 171.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -62.33 -28.23 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.064 0.459 . . . . 0.0 110.251 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 29.4 t70 -69.39 -9.12 52.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.471 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 27.3 t-20 76.16 4.37 3.72 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.767 0.794 . . . . 0.0 110.186 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -70.98 122.56 20.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.878 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 49.2 tp -71.78 110.74 6.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.927 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.528 HD11 ' HB ' ' A' ' 121' ' ' THR . 98.0 mt -90.91 -38.77 12.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.178 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 18.9 t80 -141.62 145.11 34.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.842 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.0 m -138.63 103.05 4.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.823 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 128' ' ' PHE . 18.7 tt0 -112.4 125.68 54.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.692 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.8 t -86.41 126.23 34.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 175.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.3 pt -76.5 90.23 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.549 0.69 . . . . 0.0 110.802 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.442 HE21 ' HB2' ' A' ' 133' ' ' GLN . 1.3 mp0 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.977 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 CA--C 1.518 -0.254 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.65 -31.07 71.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.204 0.526 . . . . 0.0 110.592 -177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.3 t -61.19 -36.09 70.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.204 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.71 -46.8 93.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.222 -177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.533 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -62.66 -50.98 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.678 -178.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.593 ' HB3' HD11 ' A' ' 61' ' ' LEU . 23.6 m-85 -64.5 -46.08 84.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.802 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.507 ' HD2' ' O ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -63.62 -36.09 82.68 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.317 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.43 -29.5 69.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.351 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 11' ' ' ILE . 71.4 mt -61.85 -49.16 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.119 0.485 . . . . 0.0 109.704 176.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.482 ' HA ' HG12 ' A' ' 19' ' ' VAL . 95.9 m-85 -70.49 -33.55 71.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.529 177.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 7.2 t70 -64.87 -34.85 79.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.639 -178.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -49.99 17.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.573 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.1 p -66.5 -27.68 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.876 -174.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.501 ' HE ' ' HA ' ' A' ' 17' ' ' ASP . 46.3 ptt85 -72.29 -7.52 49.9 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.215 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -118.22 -54.12 2.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.19 -22.15 52.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.186 -173.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.2 mt 64.25 23.75 13.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.179 0.514 . . . . 0.0 110.689 -175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -81.68 91.93 6.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.229 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.513 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 61.4 m-85 -80.64 -21.8 41.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -59.89 -52.55 64.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.063 0.459 . . . . 0.0 110.247 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -73.82 -33.39 64.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.293 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.522 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 36.9 t80 -58.96 -57.24 13.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.179 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -69.37 -26.9 64.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.32 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.599 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 24.4 t -58.5 -53.58 56.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.079 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' OE2' ' HD3' ' A' ' 34' ' ' ARG . 40.7 mm-40 -70.98 -33.33 70.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.426 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 46.3 mt -57.38 -51.3 69.97 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.558 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -70.29 -12.68 61.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.883 0.373 . . . . 0.0 111.232 -177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' A' ' 30' ' ' SER . 71.7 mtp180 -88.82 -23.28 22.86 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 122.126 -0.359 . . . . 0.0 111.469 178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -124.34 -53.1 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.083 0.468 . . . . 0.0 110.608 -174.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -82.32 90.15 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.911 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.615 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 17.7 t -84.32 -8.4 11.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.552 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -118.59 -94.65 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.551 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -158.51 146.11 18.01 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 122.165 -0.334 . . . . 0.0 111.145 -172.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -120.14 141.92 49.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.893 0.377 . . . . 0.0 110.502 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.2 mt -106.43 106.9 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.85 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.995 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.4 t80 -93.42 107.92 19.68 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.941 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.548 ' HB2' ' HB3' ' A' ' 48' ' ' ASN . 96.3 m-85 -88.73 104.15 16.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 176.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 97' ' ' ARG . 5.9 mp -64.38 -27.07 68.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.47 -171.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.533 ' HB1' HG22 ' A' ' 68' ' ' VAL . . . -76.32 -10.21 59.23 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 m -138.33 -2.38 1.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.907 0.384 . . . . 0.0 110.92 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.592 ' HG2' HD13 ' A' ' 67' ' ' ILE . 10.1 mm-40 55.46 34.78 23.72 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.865 0.841 . . . . 0.0 109.355 -169.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.548 ' HB3' ' HB2' ' A' ' 43' ' ' TYR . 2.8 t-20 -94.03 98.18 10.83 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.804 -176.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 t -98.17 123.89 50.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.594 -176.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -106.88 96.48 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.31 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.561 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.4 mp -87.57 98.49 7.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.51 115.36 18.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.2 mt -72.46 179.66 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.42 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 83.4 tttt -68.11 -22.16 64.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.717 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -129.34 63.22 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.003 0.43 . . . . 0.0 111.297 -175.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t70 77.58 -50.04 0.52 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 165.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -58.55 140.7 53.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.057 0.456 . . . . 0.0 110.984 -175.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.6 m -122.03 124.39 43.87 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.104 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.561 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 20.0 t -78.13 117.56 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 tt -102.2 107.38 18.43 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.593 HD11 ' HB3' ' A' ' 12' ' ' PHE . 51.6 mt -100.52 143.8 30.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.388 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -129.12 112.69 14.24 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 171.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.49 -66.27 2.63 Favored Glycine 0 CA--C 1.506 -0.496 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.887 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.573 ' HB2' HD11 ' A' ' 67' ' ' ILE . 91.8 mt -127.47 -98.21 0.39 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -157.04 -72.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.29 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -118.44 111.31 18.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.373 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.592 HD13 ' HG2' ' A' ' 47' ' ' GLU . 3.7 mp -131.35 43.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.533 HG22 ' HB1' ' A' ' 45' ' ' ALA . 46.8 t -75.05 86.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.425 -176.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.7 p -105.97 -3.85 21.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.106 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.75 133.83 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.266 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 21.7 mtpp -115.4 155.24 27.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.995 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -82.88 74.68 9.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.295 0.569 . . . . 0.0 109.88 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.43 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 50.5 m -133.39 166.16 23.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.549 -177.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -134.44 95.84 3.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.145 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -139.45 137.44 35.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.838 0.352 . . . . 0.0 110.148 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 76' ' ' ARG . 57.9 mtt85 -100.48 -25.54 14.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.587 -175.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HA ' ' HB3' ' A' ' 80' ' ' GLU . 87.6 m-70 -84.51 -25.09 29.05 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.617 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.69 -35.66 81.76 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.46 -49.24 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.685 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.43 ' HB3' ' HA ' ' A' ' 77' ' ' HIS . 40.0 tt0 -56.02 -50.83 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.763 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 p -63.64 -40.78 97.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.667 0.27 . . . . 0.0 111.707 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.0 m -68.62 -36.18 78.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.79 0.328 . . . . 0.0 110.546 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t -67.74 -38.45 83.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -64.57 -37.22 86.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.105 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -66.92 -33.49 75.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.34 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.12 -40.32 94.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.046 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -74.35 -39.52 62.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.273 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.8 m -74.44 -50.9 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.39 -177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.636 ' HD2' ' HG2' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -100.49 -78.45 0.52 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 120.515 -0.474 . . . . 0.0 109.832 -178.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.636 ' HG2' ' HD2' ' A' ' 89' ' ' ARG . 12.7 pt-20 152.6 -31.59 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.631 1.173 . . . . 0.0 108.582 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 29.3 pt 37.83 -130.43 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.312 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.1 m -149.86 153.6 37.01 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.544 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 56.1 t80 -56.83 -33.05 66.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.025 0.441 . . . . 0.0 110.533 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.483 ' NE2' ' HB2' ' A' ' 20' ' ' ARG . 79.0 mm-40 -66.37 -49.31 67.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.983 177.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -58.32 -42.72 87.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.011 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.556 ' O ' HD13 ' A' ' 100' ' ' LEU . 53.1 t80 -58.93 -47.26 85.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.718 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.558 ' HB3' HD23 ' A' ' 44' ' ' LEU . 35.0 mtm180 -69.5 -35.79 75.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.771 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -56.46 -43.94 80.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.567 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -80.54 -29.99 37.12 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.246 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 96' ' ' TYR . 8.0 mp -65.67 -44.22 86.94 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.563 176.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.39 -35.69 81.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.228 0.537 . . . . 0.0 110.321 176.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -68.1 -26.3 65.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.494 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.05 -13.66 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.073 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 115.01 5.99 19.3 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.505 -0.855 . . . . 0.0 113.302 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.4 t -77.14 112.08 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.076 0.465 . . . . 0.0 110.363 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -108.73 -30.1 8.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.167 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.781 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 83.3 mtt180 -117.28 102.99 9.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.995 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.8 t90 -87.83 93.02 9.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.166 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 43.8 t -102.01 102.48 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.2 m -103.33 117.41 34.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.0 0.429 . . . . 0.0 110.312 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.408 ' OD1' ' HB3' ' A' ' 113' ' ' HIS . 40.3 t-20 -106.12 105.94 16.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.424 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 112' ' ' ILE . 4.7 tp -72.08 -27.68 27.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.17 0.509 . . . . 0.0 109.694 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.408 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 54.7 t-80 -67.09 -20.53 65.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.103 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 12.2 tp10 -113.16 -9.89 13.45 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.775 -172.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 58.34 27.66 15.65 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.603 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 59.1 mttp -133.9 142.74 47.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 0.0 111.575 -174.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -103.26 121.04 41.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.48 172.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -104.23 108.93 20.55 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.827 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -89.85 104.71 17.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.237 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.781 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 78.3 m-85 -100.37 143.89 30.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.844 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.437 HG23 ' H ' ' A' ' 123' ' ' ASP . 14.3 t -80.29 -179.56 7.17 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 174.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -56.84 -35.62 69.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.021 0.439 . . . . 0.0 110.96 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.437 ' H ' HG23 ' A' ' 121' ' ' THR . 29.9 t70 -81.97 13.58 3.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.143 -177.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.2 t30 62.51 24.85 14.8 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.782 0.801 . . . . 0.0 110.652 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.8 m -94.51 131.83 39.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.685 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.5 tp -71.41 120.0 16.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.564 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.5 mt -96.67 -49.64 5.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -139.26 144.38 38.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.813 0.34 . . . . 0.0 110.51 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.1 m -126.31 123.32 37.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.065 177.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -130.14 145.61 51.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.825 0.345 . . . . 0.0 110.354 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.5 p -100.24 126.6 46.56 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.014 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 22.6 pt -85.39 -1.52 6.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.501 0.667 . . . . 0.0 110.157 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 169.605 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.445 ' OD1' ' HB ' ' A' ' 9' ' ' VAL . 9.6 t70 . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.88 -21.9 64.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.436 -175.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.445 ' HB ' ' OD1' ' A' ' 7' ' ' ASP . 58.3 t -64.57 -36.95 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.234 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 68.9 t -60.71 -43.0 94.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.949 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.93 -53.43 46.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.206 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.644 ' HB2' HD21 ' A' ' 61' ' ' LEU . 60.3 m-85 -68.68 -41.87 78.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.557 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -63.53 -33.43 75.57 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 3.9 tp-100 -59.88 -44.67 94.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.159 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.24 -52.25 58.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.932 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -66.15 -37.02 84.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 0.0 111.463 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -72.57 -39.64 67.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.678 0.275 . . . . 0.0 110.892 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -70.77 -38.33 73.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.3 -23.39 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.115 0.484 . . . . 0.0 110.033 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 20' ' ' ARG . 2.3 tmm_? -70.29 -19.21 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.124 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -96.47 -56.22 2.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.335 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.63 -35.67 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.066 -176.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.3 mt 61.51 27.47 16.99 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.703 0.763 . . . . 0.0 109.528 -170.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -84.27 83.72 7.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.738 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -68.77 -27.81 66.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.73 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -64.01 -51.82 62.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.422 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -67.65 -39.07 84.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.571 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.443 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 35.3 t80 -50.73 -56.53 11.57 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.469 0.481 . . . . 0.0 111.41 -177.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -73.64 -17.0 61.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.4 m -76.34 -47.81 22.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.919 0.39 . . . . 0.0 110.002 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.73 -40.49 88.37 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.817 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 46.3 mt -56.11 -51.92 66.18 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.32 174.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HG2' ' CG2' ' A' ' 112' ' ' ILE . 9.7 mtmp? -72.78 0.85 9.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -95.9 -21.75 17.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.985 0.421 . . . . 0.0 110.117 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -120.43 -59.36 1.77 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.369 0.604 . . . . 0.0 110.191 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -90.76 91.88 8.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.465 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -89.35 5.43 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.607 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.441 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 28.9 t -112.6 -91.93 0.48 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.921 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.441 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 52.0 p-80 -168.11 158.51 10.34 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.767 0.318 . . . . 0.0 111.323 -175.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.485 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 47.6 p90 -139.86 149.29 43.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.341 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.451 HG23 HG22 ' A' ' 109' ' ' VAL . 4.5 mp -116.43 114.09 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.776 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.4 OUTLIER -97.59 114.57 26.52 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.023 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -88.3 107.39 18.79 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.449 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 108' ' ' TRP . 6.8 mp -66.66 145.83 55.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.13 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 68' ' ' VAL . . . 77.63 -39.88 0.31 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.387 0.675 . . . . 0.0 110.793 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.412 HG22 HD22 ' A' ' 48' ' ' ASN . 6.2 m -77.58 -30.05 52.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 173.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 59.61 23.64 12.39 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.548 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.471 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 6.7 m-80 -103.36 110.2 22.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.941 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.5 t -100.47 128.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.695 -176.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -110.04 107.11 16.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.839 0.352 . . . . 0.0 110.29 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.458 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.5 mp -104.29 112.51 38.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.109 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.548 HG22 HG23 ' A' ' 58' ' ' THR . 13.9 t -98.18 115.28 37.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD12 ' HB3' ' A' ' 57' ' ' ASN . 77.5 mt -74.15 167.06 22.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.45 . . . . 0.0 110.549 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -67.83 -18.15 64.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.349 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -120.89 59.26 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.785 -173.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.6 t70 79.44 -53.19 0.42 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.902 -1.045 . . . . 0.0 113.178 167.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.543 ' HB3' HD12 ' A' ' 53' ' ' LEU . 45.5 t30 -54.44 131.32 42.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.327 0.584 . . . . 0.0 112.345 -173.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.548 HG23 HG22 ' A' ' 52' ' ' VAL . 28.4 m -122.34 114.61 21.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.812 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 t -100.09 141.72 16.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.237 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.543 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.0 pt? -123.84 117.96 26.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.193 0.52 . . . . 0.0 110.594 177.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 12' ' ' PHE . 31.1 mt -93.16 101.69 13.99 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.409 ' HG2' ' OD1' ' A' ' 48' ' ' ASN . 25.3 mtpp -89.41 100.68 13.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -117.18 -176.49 17.58 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.91 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 66' ' ' ASN . 98.3 mt -145.35 -61.86 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.1 mttp 67.29 -24.45 0.11 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.976 0.91 . . . . 0.0 112.814 176.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.465 ' H ' ' C ' ' A' ' 64' ' ' LEU . 3.3 t-20 64.55 85.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.226 0.61 . . . . 0.0 109.894 -171.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.42 HD13 HE22 ' A' ' 94' ' ' GLN . 50.5 mt -134.37 -76.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.062 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.463 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . 39.9 t 49.47 84.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.748 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.46 ' OG ' ' HG3' ' A' ' 98' ' ' ARG . 5.0 m -105.92 -18.1 14.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.682 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 61.2 t -58.94 128.95 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.641 -173.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -119.69 155.45 32.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.196 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -79.34 79.53 5.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.356 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 m -149.78 175.04 11.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.458 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 74' ' ' LYS . 52.1 pttt -151.29 96.03 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.364 0.602 . . . . 0.0 111.112 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -131.25 131.5 43.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.029 0.443 . . . . 0.0 111.158 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 127' ' ' LEU . 68.1 mtm180 -96.08 -13.96 23.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.135 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -70.34 -50.53 38.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.144 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' A' ' 103' ' ' ALA . 58.7 tp -58.56 -33.65 70.17 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.736 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 76' ' ' ARG . 74.1 mt -61.1 -48.26 89.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.252 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.82 -45.52 85.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.397 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.1 m -55.52 -47.57 76.03 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.025 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 99' ' ' ASN . 21.6 m -69.31 -33.07 72.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.253 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 54.2 m -69.43 -36.81 77.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.97 0.415 . . . . 0.0 110.588 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -70.42 -33.0 70.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.876 0.846 . . . . 0.0 108.736 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -66.53 -40.51 89.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.26 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 25.2 tp -69.86 -23.29 63.25 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.752 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -83.79 -45.58 13.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.099 0.476 . . . . 0.0 110.327 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.3 t -77.73 -55.95 4.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.333 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' C ' ' H ' ' A' ' 91' ' ' ILE . 77.7 mtp180 -92.48 -30.27 15.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.628 0.251 . . . . 0.0 110.792 -176.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.621 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 44.9 mt-10 73.63 -28.9 0.19 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.599 0.759 . . . . 0.0 112.093 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.408 ' H ' ' C ' ' A' ' 89' ' ' ARG . 8.4 pt 34.21 -109.27 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 174.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 94' ' ' GLN . 17.2 m -151.88 140.58 20.83 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -59.4 -30.59 68.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 0.0 111.346 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.425 ' H ' HG22 ' A' ' 92' ' ' THR . 44.9 tp60 -58.8 -52.72 64.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.728 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -68.19 -34.14 75.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.053 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.468 ' HD1' HG22 ' A' ' 82' ' ' THR . 67.8 t80 -56.3 -52.6 63.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.112 0.482 . . . . 0.0 110.306 176.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 97' ' ' ARG . 22.5 ttp85 -67.75 -32.09 72.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.727 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.46 ' HG3' ' OG ' ' A' ' 69' ' ' SER . 26.7 ttp180 -66.74 -42.05 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.776 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.532 ' HB2' HG21 ' A' ' 82' ' ' THR . 6.8 m-20 -64.96 -41.59 95.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.11 -40.74 98.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -60.1 -38.11 81.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.037 0.446 . . . . 0.0 110.665 177.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -70.63 -28.93 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.673 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.55 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -77.18 -12.95 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.326 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.8 -0.88 12.1 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.068 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 82.7 t -75.47 105.06 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.161 0.505 . . . . 0.0 110.288 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -105.5 -30.61 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.724 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 41.4 mtp180 -120.27 104.09 9.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.273 0.559 . . . . 0.0 110.793 -175.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.776 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 4.6 t-105 -87.43 96.14 10.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.543 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.451 HG22 HG23 ' A' ' 41' ' ' ILE . 48.7 t -106.31 103.1 14.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.0 0.429 . . . . 0.0 110.85 -178.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.485 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 70.1 m -101.64 111.81 24.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 58.3 t30 -95.22 102.09 13.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.319 0.581 . . . . 0.0 109.449 178.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.484 ' CG2' ' HG2' ' A' ' 33' ' ' LYS . 43.2 mm -61.31 -40.67 86.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.935 -1.029 . . . . 0.0 111.28 -173.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -66.04 -24.41 66.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.403 ' HG3' ' ND2' ' A' ' 111' ' ' ASN . 49.8 mt-10 -103.07 -2.72 27.01 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.524 178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 55.66 39.82 30.9 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.536 0.523 . . . . 0.0 110.948 -178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -136.35 137.84 41.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.92 0.391 . . . . 0.0 111.682 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -100.65 121.37 41.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.248 175.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -106.44 113.02 26.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.775 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -96.89 108.06 20.68 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.717 0.294 . . . . 0.0 110.579 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.629 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 93.9 m-85 -100.54 142.93 31.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.498 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.689 ' HB ' HD11 ' A' ' 127' ' ' LEU . 10.1 t -84.71 -179.11 7.05 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.763 175.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -60.11 -31.24 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.02 8.55 37.14 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.074 -176.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 80.49 12.39 0.93 Allowed 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.553 0.741 . . . . 0.0 111.793 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.0 m -75.41 132.12 40.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.779 -0.575 . . . . 0.0 109.857 173.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.4 tp -75.6 115.64 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.689 HD11 ' HB ' ' A' ' 121' ' ' THR . 93.7 mt -91.5 -77.15 0.43 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.023 0.44 . . . . 0.0 110.643 -179.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -111.01 142.77 42.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -174.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.7 m -144.61 126.67 15.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.043 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.81 174.57 10.47 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.391 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 m -118.07 116.95 27.91 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 123.44 0.462 . . . . 0.0 110.261 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.9 pt -67.4 115.62 5.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.34 0.591 . . . . 0.0 110.212 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.813 -173.493 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.513 ' HA ' HD13 ' A' ' 11' ' ' ILE . 5.5 tp-100 -55.65 -24.37 33.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.298 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.6 t -57.14 -39.29 65.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.83 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.38 -40.02 87.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.752 0.31 . . . . 0.0 110.801 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 8' ' ' GLN . 3.1 mp -62.62 -57.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.67 -178.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.633 ' HB3' HD11 ' A' ' 61' ' ' LEU . 57.7 m-85 -66.93 -41.35 87.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.614 -176.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.89 -38.77 86.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.629 0.252 . . . . 0.0 110.526 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -59.29 -41.15 88.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.071 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.797 HG22 ' HD1' ' A' ' 28' ' ' PHE . 35.1 mt -64.07 -48.73 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.645 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 35.0 m-85 -65.52 -47.64 75.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.956 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.702 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -65.82 -30.46 71.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.602 0.239 . . . . 0.0 111.191 -179.064 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -64.51 -55.44 20.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.2 p -65.33 -27.23 41.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.685 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.702 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 20.9 mtp180 -54.47 -44.4 72.55 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -104.01 -35.25 8.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.771 0.32 . . . . 0.0 111.437 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 12.5 t70 -79.29 -30.69 43.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.145 -172.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 93' ' ' PHE . 80.5 mt 68.25 36.76 3.02 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.703 0.763 . . . . 0.0 109.383 -169.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.14 57.68 2.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.532 -177.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -63.47 -35.31 80.02 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -174.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -60.43 -52.03 66.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.275 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.423 ' CH2' HG12 ' A' ' 15' ' ' ILE . 24.7 t90 -72.09 -38.23 69.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.359 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.797 ' HD1' HG22 ' A' ' 15' ' ' ILE . 54.6 t80 -58.59 -52.54 65.22 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -65.92 -23.97 66.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.666 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.4 m -79.43 -48.2 14.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.076 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -67.64 -33.73 75.55 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.344 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.454 HD11 ' CZ ' ' A' ' 28' ' ' PHE . 52.7 mt -62.51 -47.71 82.75 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -69.35 -12.89 62.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.204 0.526 . . . . 0.0 110.762 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.66 -46.81 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.213 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -105.91 -44.16 4.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.476 -171.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -81.21 79.96 7.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.384 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -75.13 -17.75 16.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.284 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.8 m -108.47 -85.93 0.52 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -170.87 151.31 3.35 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 122.298 -0.251 . . . . 0.0 110.924 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 37.1 p90 -125.2 146.84 49.33 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.739 177.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.6 mp -110.51 116.61 52.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.208 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.897 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 19.2 t80 -103.39 112.4 25.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.87 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD1' ' HD2' ' A' ' 107' ' ' ARG . 97.4 m-85 -84.17 115.36 22.38 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 177.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.17 156.07 39.32 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.298 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.61 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 73.33 -53.18 0.7 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.559 0.744 . . . . 0.0 111.297 -176.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.9 m -76.89 -21.71 54.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.442 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 56.12 30.16 15.9 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.969 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -93.43 117.78 30.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.969 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.667 ' HB ' ' HB2' ' A' ' 61' ' ' LEU . 4.1 t -110.94 124.41 67.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.615 0.245 . . . . 0.0 110.767 -175.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.45 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 22.8 m170 -112.59 97.67 6.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.844 178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.575 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.3 mp -85.69 101.7 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.4 t -86.01 112.71 22.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.785 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.2 mt -72.62 -172.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.037 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -76.7 65.22 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.084 0.469 . . . . 0.0 110.834 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.1 t30 82.24 9.26 0.8 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.702 165.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -92.63 -71.58 0.64 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.648 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -146.53 174.9 10.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.823 0.344 . . . . 0.0 110.206 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.1 m -114.76 129.35 56.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.298 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.575 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 54.5 t -87.52 121.82 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 176.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.45 ' HG ' ' CD2' ' A' ' 50' ' ' HIS . 3.1 tt -104.35 115.27 30.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.032 -174.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.667 ' HB2' ' HB ' ' A' ' 49' ' ' VAL . 46.7 mt -105.36 164.84 11.55 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.11 0.481 . . . . 0.0 110.685 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -143.69 123.2 13.19 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.765 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.32 -104.93 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.199 171.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.1 tp -119.28 -11.11 9.6 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 172.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 18.9 ptmt 49.91 29.9 3.64 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.65 1.18 . . . . 0.0 111.781 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.73 -14.2 4.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.572 -178.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 56.3 mt -80.76 78.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.665 0.745 . . . . 0.0 110.468 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.6 t -90.32 87.16 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.12 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.0 m -110.1 7.66 23.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.575 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.512 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 95.4 t -73.28 127.52 35.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.336 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -113.92 145.81 40.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.256 -174.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -69.63 89.36 0.53 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.261 0.553 . . . . 0.0 110.295 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.545 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 28.1 t -153.89 162.29 41.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.517 177.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -135.09 66.02 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -103.68 102.74 12.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.405 0.621 . . . . 0.0 111.031 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 76' ' ' ARG . 44.0 ttt180 -73.9 -23.57 59.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.082 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -75.45 -40.83 57.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.845 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.0 tp -62.25 -37.38 85.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.413 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.45 -48.3 85.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -56.32 -47.38 78.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.889 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.2 m -63.37 -37.41 87.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.421 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.8 m -63.54 -44.28 94.66 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.699 0.285 . . . . 0.0 110.41 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -59.98 -36.76 77.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.356 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -68.82 -31.05 69.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.362 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -68.93 -41.05 78.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.902 0.382 . . . . 0.0 110.451 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.2 tp -72.95 -30.79 64.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.564 0.697 . . . . 0.0 109.885 175.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -71.95 -42.78 66.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.168 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.5 m -84.63 -51.47 6.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.094 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.61 ' O ' ' HB3' ' A' ' 90' ' ' GLU . 16.0 tpp180 -100.32 -79.11 0.5 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.929 -172.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.61 ' HB3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER 161.86 -38.05 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.589 0.756 . . . . 0.0 110.061 174.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 35.8 pt 40.01 -131.94 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.805 0.842 . . . . 0.0 112.032 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.455 ' HB ' ' OE1' ' A' ' 95' ' ' GLU . 39.9 m -149.49 148.19 29.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.47 ' HB2' HD23 ' A' ' 23' ' ' LEU . 17.0 t80 -63.35 -30.8 71.87 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 -174.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 98' ' ' ARG . 27.7 tt0 -57.68 -51.9 67.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.07 173.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.455 ' OE1' ' HB ' ' A' ' 92' ' ' THR . 4.2 mp0 -67.35 -28.78 68.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.491 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -59.62 -52.31 66.08 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.536 ' HA ' HD12 ' A' ' 100' ' ' LEU . 85.3 mtt180 -72.38 -28.33 62.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.074 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 94' ' ' GLN . 36.8 ttt180 -61.39 -48.62 80.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.321 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -72.37 -29.34 63.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.969 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 97' ' ' ARG . 57.8 mt -63.05 -41.24 99.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.524 174.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB1' ' HA ' ' A' ' 70' ' ' VAL . . . -62.64 -35.78 80.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.313 176.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -69.99 -26.65 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.822 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.21 -20.96 47.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.545 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 111.67 10.25 19.52 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.609 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.4 t -76.57 115.41 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.124 0.487 . . . . 0.0 109.909 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -107.55 -26.48 10.88 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.297 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.452 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -118.82 112.78 20.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.09 0.471 . . . . 0.0 111.439 -178.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.897 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 10.2 t-105 -94.77 98.24 10.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.737 173.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 57.3 t -111.5 104.14 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.064 0.459 . . . . 0.0 110.721 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.612 HG23 ' HG2' ' A' ' 117' ' ' ARG . 55.9 m -99.07 104.1 16.08 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.156 0.503 . . . . 0.0 110.676 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -90.39 94.04 9.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.3 tp -77.07 -17.05 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.883 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -64.73 -28.59 69.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.581 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -107.19 -5.93 17.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.602 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 59.52 47.97 10.26 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.504 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -139.45 133.4 30.92 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.783 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.612 ' HG2' HG23 ' A' ' 110' ' ' THR . 42.0 mtm180 -100.74 117.87 35.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.267 176.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -100.57 135.6 41.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -177.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.433 ' HE1' ' CZ3' ' A' ' 108' ' ' TRP . 90.4 m-85 -117.0 116.68 27.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.602 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -116.36 137.55 52.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.355 -177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.891 ' HB ' HD11 ' A' ' 127' ' ' LEU . 12.6 t -80.47 -178.62 6.76 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 171.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -59.95 -29.38 68.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 117.991 0.36 . . . . 0.0 111.4 -177.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.435 ' H ' HG23 ' A' ' 121' ' ' THR . 2.7 m-20 -63.78 -16.63 61.68 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 176.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.9 t30 71.53 17.82 5.57 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.906 0.86 . . . . 0.0 109.654 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.3 t -82.93 137.89 34.04 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.406 174.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 47.3 tp -66.53 112.88 4.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.384 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.891 HD11 ' HB ' ' A' ' 121' ' ' THR . 96.4 mt -90.58 -54.5 3.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.006 177.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -141.75 159.64 41.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.561 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 41.9 m -146.26 112.81 5.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.359 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 117' ' ' ARG . 53.3 mt-10 -92.41 108.3 19.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.483 177.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.7 m -84.38 111.16 19.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.794 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.8 pt -92.89 120.39 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.469 0.652 . . . . 0.0 111.402 -174.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.727 HE21 ' HA ' ' A' ' 133' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.401 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 120.582 0.23 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.69 -31.1 72.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.637 -175.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.55 -34.88 59.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.838 0.351 . . . . 0.0 110.401 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 61.5 t -61.99 -41.78 92.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.019 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.4 mp -64.07 -53.74 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.632 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' HB3' HD11 ' A' ' 61' ' ' LEU . 70.7 m-85 -65.45 -43.34 90.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.551 -176.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HA ' HD13 ' A' ' 61' ' ' LEU . 57.8 tttp -60.68 -42.21 96.67 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.49 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 4.0 tp-100 -59.13 -40.09 84.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -176.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.475 HG22 ' HD1' ' A' ' 28' ' ' PHE . 64.8 mt -63.11 -54.63 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.843 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.465 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 63.4 m-85 -65.15 -37.23 86.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.196 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -69.7 -22.3 63.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.558 -178.029 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -86.65 -41.91 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 111.294 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.23 -20.51 27.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 16' ' ' PHE . 62.7 mtt180 -65.07 -32.24 73.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.497 176.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -105.9 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -78.57 -28.33 45.89 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.086 -172.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 93' ' ' PHE . 71.9 mt 63.98 31.73 13.51 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.177 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -86.55 83.54 7.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.531 0.682 . . . . 0.0 110.944 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.476 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 83.6 m-85 -74.66 -23.52 58.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.82 -178.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -59.94 4.43 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -68.53 -35.56 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.304 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 61.0 t80 -56.9 -56.89 15.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.727 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -72.37 -22.41 61.15 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -177.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.4 m -64.18 -51.21 64.89 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.694 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.97 -30.54 69.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.155 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 73.2 mt -60.59 -56.31 22.86 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.324 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.76 -19.22 64.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.062 0.458 . . . . 0.0 111.509 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -97.1 -4.66 38.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -131.57 -60.89 0.92 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.196 0.522 . . . . 0.0 110.813 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -93.97 94.13 8.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.552 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.6 t -88.83 5.34 4.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.706 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 m -110.61 -88.39 0.51 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.144 -0.348 . . . . 0.0 111.883 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -170.1 160.43 8.08 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.583 0.23 . . . . 0.0 111.039 -175.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.488 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 50.0 p90 -136.66 146.38 45.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 174.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -110.21 113.75 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.185 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.761 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 4.0 t80 -96.45 115.55 27.62 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.672 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -90.61 119.16 30.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.248 0.547 . . . . 0.0 110.758 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 97' ' ' ARG . 96.0 mt -88.28 103.18 15.55 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.767 -175.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 44' ' ' LEU . . . 151.47 -69.45 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 125.223 1.577 . . . . 0.0 108.497 -176.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.2 p -83.18 -13.49 55.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.175 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 62.37 30.32 17.37 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.1 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -86.31 109.29 18.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.186 178.517 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.39 115.21 33.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.93 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -99.56 98.4 9.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mp -90.31 110.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.292 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -91.78 101.63 12.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.49 164.49 21.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.885 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -67.74 -18.93 65.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.343 0.592 . . . . 0.0 110.521 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 24.4 t-20 -82.7 5.84 19.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.707 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 35.0 t70 77.42 -15.21 0.77 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.894 0.878 . . . . 0.0 111.257 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -65.36 106.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.369 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 m -87.88 116.47 26.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.626 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 t -100.18 111.74 30.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.471 178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.768 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.1 pt? -96.58 121.89 38.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.24 0.543 . . . . 0.0 110.555 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 12' ' ' PHE . 28.7 mt -103.89 105.42 15.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.484 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -77.24 95.48 4.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 171.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.23 -72.13 0.61 Allowed Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.247 -0.888 . . . . 0.0 113.413 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -110.55 -79.67 0.58 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -174.22 -72.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.241 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -157.97 105.91 1.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.309 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.4 mm -119.29 90.77 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.7 p -83.37 90.94 2.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 122.048 0.928 . . . . 0.0 111.721 -176.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.5 p -111.61 8.3 20.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.328 172.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.472 HG22 ' HB1' ' A' ' 101' ' ' ALA . 19.6 t -84.77 135.5 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.447 -176.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -115.85 158.46 22.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.193 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -77.2 81.9 3.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.339 0.59 . . . . 0.0 110.131 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.526 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 57.6 m -155.7 166.26 34.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.703 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HB2' HD21 ' A' ' 127' ' ' LEU . 50.5 pttt -146.13 87.1 1.73 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.577 0.703 . . . . 0.0 109.666 173.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -118.86 118.72 32.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.884 -174.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -78.73 -27.56 44.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.532 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -66.74 -38.56 86.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.702 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.4 tp -64.29 -43.35 95.05 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.23 -51.08 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.218 0.532 . . . . 0.0 109.722 175.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -53.54 -44.04 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.745 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -69.87 -36.86 75.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.848 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.9 m -67.65 -38.73 84.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.823 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.9 m -59.62 -45.61 91.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.003 0.43 . . . . 0.0 110.44 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 87' ' ' LYS . 64.0 t30 -70.79 -29.09 65.18 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.417 178.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -63.87 -42.47 97.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.174 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 38.9 tp -68.49 -36.28 78.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.959 175.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 84' ' ' ASN . 22.9 tptm -62.51 -52.81 62.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.415 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.5 m -82.97 -55.25 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -95.08 -22.89 17.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -171.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 45.7 mt-10 73.72 -40.93 0.47 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.272 0.629 . . . . 0.0 112.273 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 95' ' ' GLU . 29.8 pt 43.44 -148.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.498 0.719 . . . . 0.0 111.419 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.48 ' HB ' ' OE2' ' A' ' 95' ' ' GLU . 50.9 m -119.8 150.31 40.63 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 171.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.518 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 9.9 t80 -57.87 -22.93 50.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.761 0.315 . . . . 0.0 111.172 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.411 ' HB2' ' OE2' ' A' ' 95' ' ' GLU . 12.5 mm-40 -62.52 -55.64 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' OE2' ' HB ' ' A' ' 92' ' ' THR . 2.4 mp0 -63.33 -36.85 85.08 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.701 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -56.35 -47.92 77.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.798 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.597 ' HB3' HD22 ' A' ' 44' ' ' LEU . 55.0 mtm-85 -75.29 -22.07 58.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.926 0.393 . . . . 0.0 110.891 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.647 ' HA ' ' HE ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -80.12 -34.99 37.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.991 179.302 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.37 -37.04 84.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 110.202 175.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.93 -38.61 89.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.481 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -63.74 -30.63 71.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.959 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.25 -30.44 67.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.086 0.469 . . . . 0.0 110.605 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.48 -6.32 57.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.611 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 95.77 7.79 58.61 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.728 178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.72 115.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.034 0.445 . . . . 0.0 110.024 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -115.03 -24.45 8.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.549 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.623 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 41.7 ttm180 -121.64 103.51 8.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.241 0.543 . . . . 0.0 110.877 -177.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.761 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.5 t90 -96.51 106.67 18.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.273 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 107' ' ' ARG . 48.4 t -110.04 104.87 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.781 0.324 . . . . 0.0 111.104 -178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 41.5 m -92.48 114.9 27.58 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 174.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -94.14 107.61 19.53 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.5 mm -64.95 -47.88 86.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -72.93 -27.61 61.95 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.332 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -91.35 -10.56 40.78 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.494 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 64.45 35.49 9.49 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.82 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -130.59 154.62 47.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.98 0.419 . . . . 0.0 111.766 -176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.519 ' HB2' ' HG2' ' A' ' 130' ' ' GLU . 86.2 mtt180 -113.59 114.87 27.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.369 170.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.453 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 75.6 m-85 -97.73 113.58 25.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.529 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -97.61 105.25 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.342 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.623 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 92.3 m-85 -103.14 141.0 36.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.979 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.492 ' HB ' HD11 ' A' ' 127' ' ' LEU . 9.7 t -80.16 171.05 15.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.481 175.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -66.55 -10.33 44.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.843 0.354 . . . . 0.0 111.417 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.459 ' H ' HG23 ' A' ' 121' ' ' THR . 25.1 t70 -95.76 13.22 27.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.099 0.476 . . . . 0.0 110.64 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 73.2 4.74 4.97 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.139 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.6 t -88.23 146.11 25.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.846 0.355 . . . . 0.0 110.577 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 62.6 tp -85.84 124.83 32.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.132 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 74' ' ' LYS . 84.6 mt -103.73 -47.13 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.465 -178.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -140.72 149.69 42.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.495 -174.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 54.6 m -147.54 120.0 8.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.218 176.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.519 ' HG2' ' HB2' ' A' ' 117' ' ' ARG . 14.3 pt-20 -115.27 174.3 6.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.016 178.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.4 m -127.61 129.21 46.87 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.293 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 29.5 pt -94.96 30.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -172.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 121.258 0.551 . . . . 0.0 110.75 177.547 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 N--CA 1.461 0.109 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.553 ' HA ' HD13 ' A' ' 11' ' ' ILE . 7.0 tp60 -56.02 -29.29 60.16 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.659 0.384 . . . . 0.0 111.71 -177.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.2 t -56.49 -36.84 48.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-O 121.141 0.496 . . . . 0.0 110.655 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 57.4 t -66.42 -47.21 84.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.532 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' A' ' 8' ' ' GLN . 3.2 mp -57.29 -51.55 68.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.686 ' HB3' HD11 ' A' ' 61' ' ' LEU . 25.6 m-85 -63.58 -38.96 93.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.383 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 1.3 ttmm -60.01 -46.06 90.72 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.353 176.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 10' ' ' VAL . 80.1 mm-40 -57.71 -35.73 71.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.058 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.59 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 78.7 mt -61.46 -57.31 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.724 177.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -68.4 -35.66 78.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.345 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HA ' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -74.66 -15.44 60.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.191 -175.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -87.01 -50.01 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.936 0.398 . . . . 0.0 110.121 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.73 ' HB ' ' HE1' ' A' ' 27' ' ' TRP . 12.4 p -71.89 -24.13 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -173.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.516 ' HD3' ' HA ' ' A' ' 17' ' ' ASP . 13.3 ptm180 -58.48 -25.02 61.87 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -111.46 -45.83 3.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.651 0.262 . . . . 0.0 111.62 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -76.84 -22.61 53.31 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -172.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.404 HD21 ' H ' ' A' ' 93' ' ' PHE . 96.4 mt 62.57 17.3 9.53 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.289 0.368 . . . . 0.0 111.908 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.477 ' O ' ' HD1' ' A' ' 27' ' ' TRP . 13.5 p-10 -80.27 75.67 7.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.365 0.602 . . . . 0.0 110.224 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -59.24 -29.47 67.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.746 -175.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -32.15 65.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.049 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.73 ' HE1' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -79.02 -41.31 29.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.44 0.638 . . . . 0.0 109.936 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.451 ' CE2' HD11 ' A' ' 32' ' ' LEU . 46.7 t80 -77.98 -40.23 39.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.221 -167.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.44 ' HA ' HD12 ' A' ' 32' ' ' LEU . 56.4 m-85 -69.01 -21.92 64.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.022 0.439 . . . . 0.0 110.471 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.8 m -71.91 -47.43 52.65 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 171.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.45 -42.61 74.49 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.451 HD11 ' CE2' ' A' ' 28' ' ' PHE . 93.4 mt -57.56 -57.48 12.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.216 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.41 -29.9 70.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.031 0.444 . . . . 0.0 110.844 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 34' ' ' ARG . 15.5 mmm-85 -71.91 -47.58 51.61 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.932 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -108.46 -53.69 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.067 0.461 . . . . 0.0 111.121 -168.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -89.33 79.56 7.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.402 0.62 . . . . 0.0 110.402 -177.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.41 -19.13 19.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.426 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.566 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 17.6 t -103.2 -86.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.514 -175.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -171.21 153.03 3.54 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.488 0.185 . . . . 0.0 110.76 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.524 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 43.1 p90 -124.08 144.66 49.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.378 . . . . 0.0 110.576 176.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.0 mt -115.73 109.06 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.071 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.773 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.6 OUTLIER -99.24 109.98 22.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.129 -176.391 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -88.72 113.17 23.99 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.82 -35.33 76.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . -67.34 -38.94 85.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.8 p -100.08 -6.76 25.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' OE2' HG13 ' A' ' 67' ' ' ILE . 46.8 mt-10 59.45 20.58 8.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.16 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 95.8 m-20 -86.03 116.37 24.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.2 0.524 . . . . 0.0 110.647 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.0 t -99.66 106.98 19.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.836 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -91.57 93.21 8.84 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.544 -0.098 . . . . 0.0 110.988 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.49 102.56 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.566 ' O ' ' HB3' ' A' ' 38' ' ' SER . 14.0 t -87.98 114.05 26.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.7 mt -79.8 168.68 18.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.53 -179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -81.4 -3.86 54.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.729 0.776 . . . . 0.0 109.422 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -101.81 25.96 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.509 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 t70 76.46 -32.4 0.2 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.342 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.48 126.68 28.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.909 0.385 . . . . 0.0 111.764 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.5 m -103.88 113.12 26.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.57 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.7 t -90.35 103.25 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -99.63 122.5 42.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.575 0.703 . . . . 0.0 110.79 -178.166 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.686 HD11 ' HB3' ' A' ' 12' ' ' PHE . 8.8 mt -110.13 -175.23 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.866 -176.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 66.0 mttm -130.55 134.57 47.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.288 167.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.69 -68.99 1.41 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.776 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.425 HD23 HH12 ' A' ' 20' ' ' ARG . 1.1 tm? -143.19 -41.97 0.3 Allowed 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -147.88 -90.63 0.08 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.967 -176.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 175.55 110.1 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.76 0.824 . . . . 0.0 109.567 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.604 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 70.3 mt -89.87 87.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.306 0.574 . . . . 0.0 111.071 -177.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 t -86.55 24.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.993 0.902 . . . . 0.0 109.675 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.3 m -98.61 11.92 36.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.242 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.447 HG22 ' HB1' ' A' ' 101' ' ' ALA . 80.3 t -66.27 134.5 29.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.183 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 75.3 mmtt -85.87 134.71 33.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.092 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -80.2 80.76 6.58 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.5 m -138.43 171.62 14.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.168 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.5 ' HG2' HG21 ' A' ' 121' ' ' THR . 96.3 mttt -141.9 78.38 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -134.83 131.73 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.514 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.457 ' CG ' ' HD1' ' A' ' 128' ' ' PHE . 33.0 ttp180 -92.84 -18.16 23.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.342 178.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -65.18 -42.22 93.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.014 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 26.3 tp -65.6 -37.98 88.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.882 0.372 . . . . 0.0 110.339 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.96 -49.61 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.306 0.574 . . . . 0.0 109.682 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -54.95 -47.47 74.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.023 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.4 m -65.46 -39.19 91.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.969 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.5 m -70.27 -36.2 74.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.975 0.417 . . . . 0.0 110.451 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.0 t -66.21 -40.4 90.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.737 175.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.31 -46.56 88.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.012 175.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -62.65 -40.06 95.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.33 -35.24 79.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -72.34 -39.88 67.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.815 0.341 . . . . 0.0 111.461 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.2 m -89.55 -32.11 17.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -175.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -100.42 -33.14 10.48 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 59.81 74.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.88 0.848 . . . . 0.0 109.014 -168.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 37.3 pt -87.63 166.8 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.008 -176.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -64.61 139.66 58.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.16 176.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.491 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 30.7 t80 -55.89 -30.61 61.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.06 0.457 . . . . 0.0 111.05 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -63.33 -41.55 98.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.297 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -40.09 70.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.443 0.64 . . . . 0.0 109.686 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -55.69 -44.46 77.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.391 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.54 ' HA ' HD12 ' A' ' 100' ' ' LEU . 25.1 mtp85 -73.57 -28.04 61.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.678 -177.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 71.8 mtt-85 -59.43 -47.99 83.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.982 0.42 . . . . 0.0 110.728 177.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.558 ' HA ' ' HD2' ' A' ' 102' ' ' LYS . 48.6 m-80 -74.47 -24.65 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.956 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 97' ' ' ARG . 71.0 mt -63.0 -43.93 97.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.888 0.375 . . . . 0.0 110.201 171.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -63.7 -30.43 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.67 176.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.558 ' HD2' ' HA ' ' A' ' 99' ' ' ASN . 95.3 mttt -71.05 -29.37 65.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.753 177.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' HB2' ' HB3' ' A' ' 78' ' ' LEU . . . -82.07 -10.25 59.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 121' ' ' THR . . . 103.11 9.42 39.38 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.779 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.1 t -72.73 99.79 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.312 0.577 . . . . 0.0 110.148 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.445 ' HE1' ' HB3' ' A' ' 45' ' ' ALA . 49.7 t80 -97.32 -31.13 12.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.889 -177.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.69 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 42.4 ttm180 -124.01 104.92 9.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.219 0.533 . . . . 0.0 111.132 -173.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.773 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 3.6 t-105 -92.85 109.39 20.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.341 177.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.4 t -111.64 128.32 68.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.687 0.28 . . . . 0.0 110.58 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.524 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 57.7 m -127.34 112.1 14.64 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.961 0.41 . . . . 0.0 110.494 175.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.415 ' HB2' ' HB2' ' A' ' 114' ' ' GLU . 15.0 m120 -95.16 111.35 23.19 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.352 178.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.6 mm -65.28 -56.57 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.277 -0.42 . . . . 0.0 112.132 -172.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -79.47 9.24 5.04 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.235 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 56.1 mm-40 -109.52 -20.53 12.84 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 172.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 64.11 39.61 7.57 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.288 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -131.95 148.42 52.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.972 0.415 . . . . 0.0 111.737 -176.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.447 ' NH2' ' HG2' ' A' ' 130' ' ' GLU . 15.7 mtm180 -121.28 112.43 18.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -101.66 126.15 48.45 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.942 0.401 . . . . 0.0 110.406 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -104.72 103.45 13.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.145 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.69 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 94.8 m-85 -104.21 143.55 32.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.066 0.46 . . . . 0.0 110.988 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.5 HG21 ' HG2' ' A' ' 74' ' ' LYS . 10.1 t -82.3 -178.71 7.15 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 172.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -61.3 -21.3 63.82 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.124 0.488 . . . . 0.0 111.383 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.488 ' H ' HG23 ' A' ' 121' ' ' THR . 34.8 t70 -97.44 21.2 10.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.273 0.558 . . . . 0.0 110.323 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.444 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 2.3 p-10 49.4 25.17 1.23 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.413 1.085 . . . . 0.0 112.236 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.441 ' HB2' HG22 ' A' ' 121' ' ' THR . 5.1 m -77.66 125.28 29.09 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 48.0 tp -70.67 110.77 5.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.274 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.5 HD11 ' HB ' ' A' ' 121' ' ' THR . 89.6 mt -91.01 -56.44 3.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.764 -178.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.457 ' HD1' ' CG ' ' A' ' 76' ' ' ARG . 24.2 t80 -124.96 145.38 49.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -176.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.7 m -131.54 107.52 8.92 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.957 0.408 . . . . 0.0 110.341 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.447 ' HG2' ' NH2' ' A' ' 117' ' ' ARG . 7.5 tp10 -112.4 153.8 26.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.881 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.6 t -122.37 127.97 50.4 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 133' ' ' GLN . 13.8 pt -86.85 50.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.796 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.444 ' HB3' ' O ' ' A' ' 132' ' ' ILE . 6.6 tp-100 . . . . . 0 N--CA 1.465 0.305 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.233 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 N--CA 1.462 0.164 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -56.58 -37.67 70.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 110.797 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.39 -33.92 52.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.967 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.8 t -68.32 -38.84 80.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.13 -50.18 81.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.044 0.45 . . . . 0.0 110.519 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.564 ' HB2' HD21 ' A' ' 61' ' ' LEU . 76.8 m-85 -68.09 -43.24 78.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.336 -178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -62.82 -32.88 74.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.523 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -59.75 -42.98 94.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.304 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.34 -52.25 60.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.246 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.495 ' HA ' HG12 ' A' ' 19' ' ' VAL . 81.8 m-85 -66.72 -29.53 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.568 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.85 -41.75 78.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.887 0.375 . . . . 0.0 110.267 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.73 -47.57 74.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 16' ' ' PHE . 11.1 p -65.89 -27.12 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.773 0.32 . . . . 0.0 111.043 -177.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.496 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 14.0 ttp180 -61.29 -35.87 78.5 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.064 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -103.66 -43.28 5.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.688 -174.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -88.78 -26.24 21.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -170.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.515 HD11 ' HA ' ' A' ' 92' ' ' THR . 96.0 mt 62.44 31.83 16.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.017 0.437 . . . . 0.0 111.134 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -73.62 100.1 3.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.52 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -70.79 -37.68 73.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.677 0.275 . . . . 0.0 111.121 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -58.99 -56.92 16.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.14 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.2 t90 -70.36 -40.48 74.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.223 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.54 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.4 t80 -56.7 -57.87 10.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.572 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -69.44 -28.89 66.51 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.685 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.8 m -68.05 -44.07 77.25 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.622 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -68.67 -33.92 74.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.783 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 77.1 mt -59.75 -52.22 66.41 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 174.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -63.12 -26.1 68.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.146 0.498 . . . . 0.0 110.835 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -80.31 -21.29 42.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.948 -176.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -130.09 -56.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 111.097 -174.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.424 ' ND2' ' HD1' ' A' ' 40' ' ' TYR . 38.0 t30 -87.38 89.56 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.739 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 113' ' ' HIS . 48.4 t -78.78 -29.34 14.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.271 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.465 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 35.4 m -94.06 -82.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -175.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -169.98 146.53 3.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.669 0.271 . . . . 0.0 111.258 -174.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.509 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 48.2 p90 -116.12 137.78 51.83 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.482 HG23 HG22 ' A' ' 109' ' ' VAL . 48.5 mt -112.0 106.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.372 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.746 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -96.68 107.54 20.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.739 -177.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.22 107.8 18.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HG ' HH11 ' A' ' 97' ' ' ARG . 6.7 mp -67.92 159.97 29.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.501 -178.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.678 ' HA ' ' O ' ' A' ' 67' ' ' ILE . . . 75.39 -49.65 0.63 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.446 0.698 . . . . 0.0 111.193 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 m -84.76 -23.66 29.14 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 61.06 37.73 17.69 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.87 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -99.18 108.11 20.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.718 173.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 t -98.95 111.4 28.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.441 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -100.85 99.5 10.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.628 0.251 . . . . 0.0 110.452 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -89.17 110.16 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.034 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' O ' ' HB2' ' A' ' 38' ' ' SER . 43.8 t -91.25 109.37 21.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.24 -174.23 0.62 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.104 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -52.68 -65.09 0.62 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 -177.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -151.54 18.97 0.72 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.894 0.854 . . . . 0.0 108.789 175.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -82.96 -84.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.851 -174.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -156.57 168.29 27.85 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.0 m -96.16 123.8 39.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.267 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -99.4 116.26 42.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.745 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.9 pt? -103.25 114.21 28.31 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.398 0.618 . . . . 0.0 111.229 -178.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 12' ' ' PHE . 23.9 mt -85.61 88.97 7.6 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 172.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -80.86 100.02 8.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.558 -175.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.58 137.46 7.54 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.553 176.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.2 tp -118.39 -58.04 2.02 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -167.72 -70.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.685 176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.434 ' CG ' ' H ' ' A' ' 67' ' ' ILE . 15.5 t-20 -153.41 -138.81 0.08 Allowed 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.678 ' O ' ' HA ' ' A' ' 45' ' ' ALA . 80.0 mt 72.99 104.03 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 C-N-CA 123.231 0.613 . . . . 0.0 110.229 -175.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 68' ' ' VAL . 5.8 p -156.91 97.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.695 0.759 . . . . 0.0 110.981 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -158.8 30.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.669 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 45' ' ' ALA . 75.7 t -64.6 121.77 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.842 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' A' ' 102' ' ' LYS . 62.1 mttm -78.41 160.32 27.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.497 -176.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -85.65 2.01 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.594 175.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.0 m -89.95 161.1 16.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.669 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.83 110.63 7.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.01 0.434 . . . . 0.0 110.366 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -127.98 136.75 51.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.641 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.9 mtm-85 -98.58 -23.57 15.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.61 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -68.42 -34.59 76.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.697 0.284 . . . . 0.0 110.992 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.8 tp -69.2 -34.77 75.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.99 -48.26 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -55.82 -54.24 46.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.437 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 p -63.9 -34.81 78.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.805 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.45 HG22 ' CD1' ' A' ' 96' ' ' TYR . 47.1 m -70.28 -39.27 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.57 0.224 . . . . 0.0 110.618 177.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -59.81 -51.72 68.54 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.285 174.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -63.61 -33.15 74.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.497 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -60.74 -48.89 79.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.112 177.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.64 -44.61 89.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.481 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -58.62 -35.31 72.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.548 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 m -92.35 -48.8 6.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -98.44 -17.73 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -170.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 58.85 71.41 0.59 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.425 0.631 . . . . 0.0 109.968 -171.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 36.7 pt -89.01 160.57 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.898 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.547 ' HB ' ' HG2' ' A' ' 95' ' ' GLU . 4.1 m -60.4 142.8 54.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.721 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.496 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 41.3 t80 -60.81 -27.64 68.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.945 0.403 . . . . 0.0 110.904 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -69.01 -39.31 79.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.547 ' HG2' ' HB ' ' A' ' 92' ' ' THR . 12.9 mm-40 -70.98 -36.47 72.53 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.122 0.487 . . . . 0.0 110.168 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.45 ' CD1' HG22 ' A' ' 82' ' ' THR . 69.3 t80 -60.27 -52.0 67.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.409 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 97' ' ' ARG . 34.5 mtm180 -72.14 -26.2 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.632 -178.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.577 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 13.8 ttm-85 -58.14 -56.38 22.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 178.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -66.41 -34.22 77.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.377 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.494 ' HG ' ' HB ' ' A' ' 105' ' ' VAL . 16.3 tp -64.76 -38.65 91.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.403 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.5 -31.94 72.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.65 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 72.8 mmtt -68.42 -24.85 64.79 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.105 0.479 . . . . 0.0 110.006 176.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.07 -16.44 56.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.047 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.51 7.35 39.88 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.594 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.494 ' HB ' ' HG ' ' A' ' 100' ' ' LEU . 61.3 t -76.95 107.92 9.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.235 0.54 . . . . 0.0 110.617 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -104.69 -29.65 10.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.524 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.929 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 37.7 ttt180 -118.52 105.43 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.753 -174.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.746 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.8 t90 -92.57 105.43 17.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.568 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.482 HG22 HG23 ' A' ' 41' ' ' ILE . 61.0 t -112.38 114.64 47.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 122.167 -0.333 . . . . 0.0 110.491 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.524 HG23 ' HG2' ' A' ' 117' ' ' ARG . 95.2 m -117.93 111.2 18.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.117 0.484 . . . . 0.0 111.149 178.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.534 ' HB3' ' HG2' ' A' ' 114' ' ' GLU . 7.7 m120 -88.12 103.81 16.09 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.695 175.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.416 HD11 HD13 ' A' ' 32' ' ' LEU . 48.3 mm -65.19 -38.46 82.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.295 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.492 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 57.1 t-80 -63.56 -29.21 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.906 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.534 ' HG2' ' HB3' ' A' ' 111' ' ' ASN . 38.1 mm-40 -95.69 -14.95 23.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.026 -177.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 62.95 37.73 11.69 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.565 0.54 . . . . 0.0 110.691 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 58.4 mtpt -138.42 136.67 36.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.504 -175.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.524 ' HG2' HG23 ' A' ' 110' ' ' THR . 20.4 mtm180 -105.18 126.66 52.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.798 174.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -108.31 126.28 52.65 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.075 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -104.89 109.08 20.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.434 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.929 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 82.7 m-85 -102.97 139.38 38.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.783 ' HB ' HD11 ' A' ' 127' ' ' LEU . 5.0 t -80.37 174.37 11.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.69 174.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -63.85 -17.56 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.501 0.667 . . . . 0.0 110.553 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 124' ' ' ASN . 3.6 m-20 -72.02 -8.88 57.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.761 176.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 123' ' ' ASP . 25.7 m-80 68.56 25.15 6.74 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.701 0.626 . . . . 0.0 110.43 -174.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.9 t -104.21 139.59 39.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.456 177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.3 tp -72.92 113.4 9.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.984 0.421 . . . . 0.0 110.602 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.783 HD11 ' HB ' ' A' ' 121' ' ' THR . 85.3 mt -86.08 -63.65 1.28 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.747 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -124.75 139.64 53.67 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.06 -173.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 22.9 m -117.79 105.11 11.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.959 0.409 . . . . 0.0 110.249 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -112.61 111.93 23.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.511 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 15.3 m -74.66 137.89 42.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.489 HG23 ' HG3' ' A' ' 117' ' ' ARG . 28.0 pt -88.64 6.02 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.125 0.488 . . . . 0.0 110.725 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.471 ' HA ' HD13 ' A' ' 11' ' ' ILE . 8.6 tt0 -64.17 -23.29 67.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.04 -170.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.62 -36.42 76.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.877 0.37 . . . . 0.0 110.432 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.7 t -61.69 -41.47 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 8' ' ' GLN . 2.5 mp -62.22 -54.76 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.57 ' HB2' HD21 ' A' ' 61' ' ' LEU . 72.2 m-85 -66.4 -40.16 89.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.486 -177.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HA ' HD13 ' A' ' 61' ' ' LEU . 18.9 ttpp -62.34 -36.31 81.8 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -63.31 -37.77 88.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.86 -51.55 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.225 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.618 ' HA ' HG12 ' A' ' 19' ' ' VAL . 87.1 m-85 -69.9 -32.88 71.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.879 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.7 -39.46 73.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.533 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -91.5 -38.95 12.22 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.952 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -63.93 -29.04 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -175.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -70.56 -12.02 61.3 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 111.455 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 9.1 t30 -114.54 -54.48 2.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -177.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -88.8 -15.78 33.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.06 -173.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.419 HD21 ' H ' ' A' ' 93' ' ' PHE . 89.7 mt 61.01 34.03 19.47 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.405 0.441 . . . . 0.0 112.044 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -79.43 86.95 5.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.616 0.722 . . . . 0.0 110.745 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 77.7 m-85 -80.0 -24.03 41.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.6 -176.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -58.18 -51.49 69.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.371 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -74.09 -31.57 62.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.911 0.386 . . . . 0.0 110.444 177.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.562 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 57.5 t80 -60.01 -57.64 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.395 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -66.38 -31.73 72.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.4 m -63.86 -46.68 83.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.9 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -68.74 -32.41 72.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.789 -0.187 . . . . 0.0 110.854 178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 76.6 mt -60.4 -49.37 77.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.922 0.392 . . . . 0.0 110.431 176.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -73.06 -12.14 60.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.591 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -100.04 -16.93 17.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.973 0.416 . . . . 0.0 111.359 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -127.57 -46.24 1.46 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.958 -0.463 . . . . 0.0 111.363 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.28 79.61 9.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.13 0.49 . . . . 0.0 109.853 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -70.88 -32.61 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.038 -176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 p -103.15 -82.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.244 -0.583 . . . . 0.0 111.917 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' HB3' ' OD1' ' A' ' 111' ' ' ASN . 48.0 p-80 -163.52 157.23 19.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.741 0.305 . . . . 0.0 111.286 -173.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.561 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 44.0 p90 -128.11 141.39 51.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 174.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 41' ' ' ILE . 4.3 mp -107.83 109.39 28.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.146 -178.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.586 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.1 t80 -90.49 112.17 23.72 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.841 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -90.69 113.6 25.72 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.968 0.413 . . . . 0.0 109.914 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.97 158.77 35.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.851 -177.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . 69.36 -66.75 0.25 Allowed 'General case' 0 C--O 1.223 -0.303 0 O-C-N 124.014 0.821 . . . . 0.0 110.766 -173.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 m -60.52 -27.49 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.125 0.488 . . . . 0.0 110.428 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 46.6 mt-10 61.5 26.25 16.02 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.239 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.558 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -89.77 99.18 12.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.572 175.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.9 t -89.86 111.78 23.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.872 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -92.47 93.86 8.79 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.722 -177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.4 105.24 13.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.006 0.431 . . . . 0.0 110.642 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 t -87.29 114.25 26.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 172.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.37 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.281 0.563 . . . . 0.0 111.28 -176.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.448 ' HG2' ' OD1' ' A' ' 55' ' ' ASN . 45.1 tttm -115.52 -65.61 1.17 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.09 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' OD1' ' HG2' ' A' ' 54' ' ' LYS . 4.5 p-10 -171.0 20.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.838 175.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -113.81 -33.8 5.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.714 -170.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -153.52 149.42 27.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.383 . . . . 0.0 110.772 -178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.5 m -120.24 106.04 11.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.802 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.61 103.17 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.17 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.859 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.9 pt? -93.48 118.75 31.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.256 0.551 . . . . 0.0 110.519 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.57 HD21 ' HB2' ' A' ' 12' ' ' PHE . 26.2 mt -90.86 175.83 6.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.95 -177.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -142.99 124.45 14.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.985 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.37 -117.99 0.63 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.648 175.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.4 mt -84.17 -69.8 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 34.5 ttmt 178.82 -50.17 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.285 0.366 . . . . 0.0 111.213 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.506 ' C ' HD22 ' A' ' 66' ' ' ASN . 0.2 OUTLIER -145.59 -55.15 0.29 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.309 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 66' ' ' ASN . 10.9 tp 58.18 -54.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.527 1.531 . . . . 0.0 114.289 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.76 136.97 59.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 120.861 0.363 . . . . 0.0 110.792 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 m -82.63 106.95 14.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.61 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.592 HG23 ' HB2' ' A' ' 45' ' ' ALA . 89.5 t -68.56 113.65 4.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -85.1 135.23 34.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.907 -174.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.474 ' HA ' ' HE1' ' A' ' 122' ' ' PHE . 16.2 p90 -67.43 90.22 0.24 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 122.119 0.962 . . . . 0.0 110.786 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.401 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 22.8 m -146.13 177.82 8.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.36 178.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -151.4 72.49 1.04 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.451 0.643 . . . . 0.0 109.832 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -115.16 120.82 41.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.091 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.512 ' HA ' HD12 ' A' ' 79' ' ' ILE . 28.9 ptt180 -92.17 -13.38 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.797 -176.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -71.47 -40.29 70.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.491 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 103' ' ' ALA . 42.1 tp -64.26 -42.65 96.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 175.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 76' ' ' ARG . 66.1 mt -57.4 -50.34 77.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.624 174.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.37 -50.08 63.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.109 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.9 m -62.18 -38.57 89.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.797 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.497 HG22 ' CD1' ' A' ' 96' ' ' TYR . 31.1 m -67.94 -45.4 74.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.714 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.2 m -58.06 -42.27 85.11 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -70.52 -40.14 73.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.732 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.728 ' HE3' HD13 ' A' ' 91' ' ' ILE . 36.2 ttpt -63.33 -41.56 98.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.314 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.431 ' HA ' HG12 ' A' ' 91' ' ' ILE . 54.1 tp -71.2 -41.87 69.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.882 -0.511 . . . . 0.0 110.567 177.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' HB2' ' HZ2' ' A' ' 87' ' ' LYS . 4.2 ttmp? -70.26 -39.33 75.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.683 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.5 m -94.89 -36.39 11.64 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -175.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 89' ' ' ARG . 20.6 ttt180 -97.35 -27.52 14.45 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.175 -0.21 . . . . 0.0 111.461 -173.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 62.95 70.34 0.55 Allowed 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.721 0.638 . . . . 0.0 110.172 -172.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.728 HD13 ' HE3' ' A' ' 85' ' ' LYS . 46.4 pt -85.48 -179.25 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.726 176.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.441 ' HB ' ' HG3' ' A' ' 95' ' ' GLU . 1.8 m -74.87 143.01 44.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.076 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.582 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 63.8 t80 -62.62 -30.37 71.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.996 0.426 . . . . 0.0 110.341 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.565 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 10.0 tt0 -64.96 -38.55 91.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.608 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 37.5 mt-10 -67.6 -34.48 77.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.358 0.599 . . . . 0.0 109.92 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.497 ' CD1' HG22 ' A' ' 82' ' ' THR . 38.0 t80 -64.49 -49.56 70.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.425 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 1.0 OUTLIER -65.89 -32.53 74.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.733 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 93.7 mtt-85 -67.33 -44.1 79.95 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.61 0.243 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.04 -42.41 99.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.1 mt -65.41 -39.24 91.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.067 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.59 96.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.426 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -79.16 -12.49 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.5 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.497 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -82.88 -14.45 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.171 0.51 . . . . 0.0 110.571 177.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 105.75 8.67 34.25 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.544 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.0 t -78.32 120.24 28.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.946 0.403 . . . . 0.0 110.179 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -118.94 -26.44 6.01 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.056 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.495 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 10.0 ttp85 -123.6 99.73 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.588 0.709 . . . . 0.0 110.501 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.586 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.3 t90 -97.74 99.55 10.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.534 -177.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 118' ' ' TYR . 44.8 t -104.49 105.39 18.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.761 0.315 . . . . 0.0 111.219 -174.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.561 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 30.4 m -97.52 109.28 22.06 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.74 175.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.488 ' OD1' ' HB3' ' A' ' 39' ' ' HIS . 62.8 t30 -97.05 96.66 8.63 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.165 -177.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.7 mm -64.14 -29.11 46.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.266 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -61.5 -21.8 64.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.218 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -116.4 -8.45 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.411 ' CB ' ' HB2' ' A' ' 133' ' ' GLN . 82.4 mm-40 60.84 33.76 19.9 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.389 0.614 . . . . 0.0 109.814 -173.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -120.73 150.5 40.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.603 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 129' ' ' THR . 39.0 ttm180 -121.29 108.51 13.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.829 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.417 ' HB2' ' HB ' ' A' ' 109' ' ' VAL . 89.3 m-85 -94.46 133.53 37.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.079 -175.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.74 113.62 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.474 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.495 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 77.3 m-85 -113.63 140.97 47.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.198 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.612 ' HB ' HD11 ' A' ' 127' ' ' LEU . 10.0 t -83.97 167.49 16.88 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.474 ' HE1' ' HA ' ' A' ' 72' ' ' PHE . 47.5 p90 -66.89 -20.69 65.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 110.924 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.26 0.73 20.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.658 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 54.1 t30 64.1 79.18 0.26 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.534 -177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.5 m -152.53 132.84 13.65 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.132 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 42.5 tp -74.06 103.88 4.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.044 0.45 . . . . 0.0 109.807 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.612 HD11 ' HB ' ' A' ' 121' ' ' THR . 79.5 mt -80.09 -52.46 7.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.549 -176.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -151.33 158.12 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.922 -177.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 61.5 m -149.8 111.58 4.54 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.235 177.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -104.88 157.98 16.84 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 175.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.0 t -119.41 132.17 55.78 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.611 -0.435 . . . . 0.0 109.909 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.411 HG12 ' H ' ' A' ' 132' ' ' ILE . 6.6 pt -83.83 -0.4 5.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.539 0.685 . . . . 0.0 110.046 176.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.411 ' HB2' ' CB ' ' A' ' 115' ' ' GLN . 13.0 tm0? . . . . . 0 N--CA 1.449 -0.511 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 171.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.632 ' HA ' HD13 ' A' ' 11' ' ' ILE . 3.2 pt20 -67.6 -14.61 63.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.175 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.92 -38.69 79.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 48.5 t -65.88 -31.91 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.949 -0.568 . . . . 0.0 109.646 175.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.632 HD13 ' HA ' ' A' ' 8' ' ' GLN . 1.8 mp -67.14 -57.42 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.641 178.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.528 ' HB3' HD11 ' A' ' 61' ' ' LEU . 80.7 m-85 -66.67 -44.69 81.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.783 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.14 -36.2 82.83 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.47 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 8.6 tt0 -61.67 -39.52 91.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 11' ' ' ILE . 67.6 mt -56.69 -54.85 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -66.79 -38.08 85.82 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.456 -178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.32 -46.06 78.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB3' ' HE2' ' A' ' 18' ' ' LYS . 37.8 mtpt -75.11 -37.52 61.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.494 -176.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.25 -22.59 31.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.707 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.583 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 12.3 mtm180 -56.53 -36.9 69.75 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.611 173.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -106.77 -41.86 5.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.776 -174.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.85 -32.31 72.73 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD23 ' HB2' ' A' ' 93' ' ' PHE . 66.9 mt 61.19 28.63 18.22 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.499 0.499 . . . . 0.0 110.975 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -91.04 79.12 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.686 0.755 . . . . 0.0 110.67 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -64.9 -31.25 72.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.042 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -54.73 -55.9 24.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.591 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -67.98 -38.27 82.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.546 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.556 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 59.1 t80 -55.11 -55.88 26.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.2 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -70.53 -29.13 65.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.597 -177.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 66.6 m -61.84 -51.75 66.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.745 0.307 . . . . 0.0 110.485 177.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' A' ' 35' ' ' HIS . 49.8 mm-40 -68.6 -30.66 69.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.151 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 54.8 mt -58.9 -58.02 10.47 Favored 'General case' 0 C--O 1.221 -0.436 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.254 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -58.8 -34.95 72.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 111.463 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 30' ' ' SER . 78.0 mtp180 -66.41 -41.75 88.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.658 0.266 . . . . 0.0 111.648 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 31' ' ' GLU . 24.3 m-70 -103.78 -59.06 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.113 0.482 . . . . 0.0 110.236 -172.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -96.82 85.17 3.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.655 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.8 t -79.18 -17.6 13.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.727 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.54 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 14.8 m -93.21 -83.73 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.492 -175.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.652 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 7.5 p-80 -176.18 154.6 1.41 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.68 0.276 . . . . 0.0 111.562 -175.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.529 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 51.2 p90 -124.91 139.36 53.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.542 178.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 41' ' ' ILE . 4.5 mp -105.61 101.59 12.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.575 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.608 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 3.3 t80 -95.39 107.88 20.05 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.89 -175.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 106' ' ' PHE . 75.8 m-85 -88.02 124.7 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.521 174.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -77.31 -174.7 3.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.102 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.54 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . 71.29 -66.93 0.28 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.403 0.681 . . . . 0.0 111.531 -178.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.4 p -89.76 -18.5 26.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.264 0.554 . . . . 0.0 109.97 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.442 ' CD ' HH12 ' A' ' 20' ' ' ARG . 5.9 mt-10 65.1 50.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.632 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.603 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 94.9 m-20 -88.74 95.63 10.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.715 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 14.5 t -94.39 107.39 19.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.469 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -90.47 95.43 10.17 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 58' ' ' THR . 65.0 mt -92.38 106.0 17.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.315 -177.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.54 ' O ' ' HB2' ' A' ' 38' ' ' SER . 44.8 t -86.03 110.57 20.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.1 mt -76.45 170.81 15.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.865 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -70.81 -7.52 45.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.32 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 4.3 t-20 -105.3 20.22 19.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.778 -178.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 11.7 t70 77.32 -35.7 0.22 Allowed 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.015 177.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -57.83 133.88 55.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 46.5 m -106.67 119.93 40.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.187 0.518 . . . . 0.0 110.96 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.9 t -91.31 103.08 14.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 3.7 pp -93.15 126.63 38.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.181 0.515 . . . . 0.0 110.435 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.603 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 40.5 mt -105.83 146.8 29.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.095 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -123.26 105.79 10.16 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.575 ' O ' ' HG ' ' A' ' 64' ' ' LEU . . . -61.87 -55.27 29.32 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.264 -178.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 63' ' ' GLY . 4.6 pp 52.66 7.28 0.06 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.703 1.201 . . . . 0.0 114.008 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -112.76 9.75 19.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.178 0.513 . . . . 0.0 110.233 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -154.89 78.94 1.06 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.204 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 37.7 mm -87.65 95.88 5.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.335 -177.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.07 136.09 32.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.47 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 m -70.57 102.95 2.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.777 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 45' ' ' ALA . 24.6 t -94.62 135.44 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.064 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -99.72 -175.52 3.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.002 0.429 . . . . 0.0 110.861 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.525 ' HD1' ' HB3' ' A' ' 122' ' ' PHE . 27.0 m-85 -109.68 21.02 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.51 0.671 . . . . 0.0 109.259 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.43 ' O ' ' HA3' ' A' ' 104' ' ' GLY . 14.9 m -76.53 166.78 22.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.038 -175.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.77 80.95 1.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.815 176.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.477 ' HB2' ' HA ' ' A' ' 103' ' ' ALA . 4.1 m-20 -106.96 85.3 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.046 0.45 . . . . 0.0 111.088 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.515 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 42.6 ttm180 -69.27 -38.24 78.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.077 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -61.76 -30.58 70.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.9 tp -73.41 -36.58 66.0 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.2 mt -62.07 -49.29 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.158 0.504 . . . . 0.0 109.858 174.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 76' ' ' ARG . 41.2 mt-10 -57.39 -48.43 79.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.0 p -66.5 -38.65 87.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.382 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.476 HG22 ' CD1' ' A' ' 96' ' ' TYR . 88.3 m -64.35 -39.95 94.9 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.614 0.245 . . . . 0.0 110.96 177.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.8 t -60.87 -50.03 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.284 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -62.39 -39.34 92.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.707 177.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.595 ' HE2' HG21 ' A' ' 91' ' ' ILE . 81.3 tttt -61.98 -36.62 82.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.337 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.49 ' HA ' HG12 ' A' ' 91' ' ' ILE . 61.3 tp -69.12 -39.66 78.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.995 0.426 . . . . 0.0 110.586 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -75.2 -31.0 60.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.116 0.484 . . . . 0.0 111.041 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.4 p -79.41 -68.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.222 -0.444 . . . . 0.0 112.06 -175.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 89' ' ' ARG . 0.4 OUTLIER -93.76 -2.2 54.02 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -173.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 43.0 mt-10 52.61 67.61 0.96 Allowed 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.41 0.624 . . . . 0.0 110.707 -178.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.595 HG21 ' HE2' ' A' ' 85' ' ' LYS . 48.2 pt -75.75 175.84 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.064 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.559 ' HB ' ' HG3' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -73.15 142.85 47.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.694 179.64 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.583 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 54.8 t80 -66.8 -24.16 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 110.663 -176.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -66.03 -30.33 70.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.003 174.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.559 ' HG3' ' HB ' ' A' ' 92' ' ' THR . 38.2 mt-10 -75.68 -42.9 49.89 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.16 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.476 ' CD1' HG22 ' A' ' 82' ' ' THR . 73.0 t80 -55.17 -43.08 73.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.465 ' HD2' ' CE2' ' A' ' 93' ' ' PHE . 33.9 mtp180 -70.58 -36.97 73.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.444 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -72.32 -35.65 68.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 111.255 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.428 ' N ' HD22 ' A' ' 99' ' ' ASN . 0.9 OUTLIER -67.87 -35.12 77.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.109 179.156 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.4 mt -64.55 -37.51 87.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.889 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.533 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -58.37 -42.33 86.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.198 0.523 . . . . 0.0 110.667 177.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -68.4 -27.45 66.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.037 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.477 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . . . -77.77 -8.24 57.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.365 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 73' ' ' SER . . . 96.61 7.63 57.77 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.355 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.32 102.62 8.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.078 0.466 . . . . 0.0 110.304 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 43' ' ' TYR . 55.0 t80 -103.04 -19.14 14.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.236 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.848 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 21.6 ttt180 -118.7 100.17 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.227 0.537 . . . . 0.0 110.912 -174.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.608 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.7 t90 -95.89 103.02 14.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.112 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' ' 107' ' ' ARG . 59.9 t -112.51 101.44 12.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.994 0.426 . . . . 0.0 110.88 -177.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.529 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 93.5 m -102.65 111.02 23.14 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.025 0.44 . . . . 0.0 110.513 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.652 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 91.5 m-20 -86.57 109.07 18.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.056 175.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.3 mm -64.88 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.18 0.514 . . . . 0.0 110.328 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -63.74 -27.36 69.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.651 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.589 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 2.3 mp0 -93.31 -20.78 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.437 -177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 61.21 35.62 18.28 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.563 0.697 . . . . 0.0 109.9 -175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' A' ' 131' ' ' SER . 94.6 mttt -131.55 133.51 45.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.915 -176.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 117' ' ' ARG . 6.6 mtp180 -102.14 102.22 12.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.341 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -87.91 129.7 35.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.528 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -112.4 114.07 26.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.004 0.43 . . . . 0.0 110.483 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.848 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 86.5 m-85 -111.73 143.08 43.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.387 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.493 ' HB ' HD11 ' A' ' 127' ' ' LEU . 9.5 t -78.77 170.21 17.03 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 171.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.525 ' HB3' ' HD1' ' A' ' 72' ' ' PHE . 61.4 t80 -65.0 -26.03 68.11 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.199 0.524 . . . . 0.0 110.312 -178.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.432 ' HB3' HG23 ' A' ' 121' ' ' THR . 13.0 t70 -61.74 -17.77 57.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.494 174.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.3 t30 71.11 77.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.527 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.2 t -155.92 144.02 19.86 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.716 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.0 tp -72.1 103.6 3.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.893 -176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.493 HD11 ' HB ' ' A' ' 121' ' ' THR . 37.8 mt -86.45 -41.11 14.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.984 178.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -154.66 148.48 25.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.859 0.361 . . . . 0.0 110.777 -176.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 37.7 m -128.06 100.22 5.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.053 175.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -89.76 92.92 9.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.255 0.55 . . . . 0.0 109.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.578 ' HB3' ' HG2' ' A' ' 116' ' ' LYS . 1.4 p -79.41 119.95 23.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.697 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 9.0 pt -86.72 62.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.062 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.907 179.83 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.62 ' HB2' HG23 ' A' ' 10' ' ' VAL . 7.7 m-20 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -54.68 -34.1 61.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.478 . . . . 0.0 110.511 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.421 HG13 HD23 ' A' ' 61' ' ' LEU . 61.1 t -57.78 -41.22 79.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.015 178.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 7' ' ' ASP . 92.3 t -62.62 -47.64 91.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.43 -176.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.556 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.7 mp -56.86 -54.35 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.684 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.401 ' O ' ' HD1' ' A' ' 16' ' ' PHE . 56.9 m-85 -65.2 -42.84 93.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.846 0.355 . . . . 0.0 111.46 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.552 ' HA ' HD13 ' A' ' 61' ' ' LEU . 46.7 tttm -63.53 -39.76 95.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.283 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -65.43 -32.62 74.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.572 0.225 . . . . 0.0 111.217 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 11' ' ' ILE . 73.3 mt -62.67 -55.9 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.249 177.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.518 ' HA ' HG12 ' A' ' 19' ' ' VAL . 78.2 m-85 -65.02 -38.05 89.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.288 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -61.95 -41.43 97.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.704 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -91.3 -30.53 16.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 16' ' ' PHE . 9.8 p -66.68 -27.9 41.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 O-C-N 122.127 -0.358 . . . . 0.0 110.994 -178.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 39.1 ptt180 -72.57 -7.72 51.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.818 0.342 . . . . 0.0 111.142 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -115.43 -47.16 2.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.682 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -78.05 -25.56 47.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.39 -174.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD21 ' H ' ' A' ' 93' ' ' PHE . 91.3 mt 66.37 25.38 10.36 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.991 -0.55 . . . . 0.0 112.259 176.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -81.68 84.71 6.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.093 0.473 . . . . 0.0 109.862 177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -74.29 -25.3 59.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.483 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -60.34 -56.03 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.741 0.305 . . . . 0.0 110.463 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 45.7 t90 -67.74 -38.19 83.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.472 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.504 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 49.5 t80 -54.52 -56.94 13.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.474 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -75.1 -20.61 59.39 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -176.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.466 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 72.4 m -71.05 -42.53 69.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 0.0 110.284 176.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -67.41 -38.56 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.054 175.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 54.3 mt -57.92 -46.92 84.26 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -72.66 -14.43 61.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -177.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 30' ' ' SER . 54.5 mtm180 -100.12 -3.48 31.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.108 -0.37 . . . . 0.0 111.596 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -130.31 -58.56 1.06 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.112 0.482 . . . . 0.0 110.793 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -86.3 89.52 7.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.291 -176.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.14 -23.31 15.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.662 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' VAL . 35.4 t -100.79 -89.02 0.35 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.29 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 28.2 p-80 -174.25 158.6 3.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.67 -174.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.624 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 51.9 p90 -125.76 146.05 49.94 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.356 178.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 41' ' ' ILE . 4.6 mp -111.41 109.99 30.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.803 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.903 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 1.1 t80 -99.04 108.83 21.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.734 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -80.19 115.95 20.03 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 108' ' ' TRP . 6.9 mp -72.68 -47.3 48.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -172.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.505 ' HB3' ' HE1' ' A' ' 106' ' ' PHE . . . -81.77 39.68 0.56 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.088 0.471 . . . . 0.0 111.532 -176.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 m -166.15 -36.1 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.363 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 24.9 tt0 65.57 67.06 0.5 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.649 -174.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.595 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 48.5 t-20 -137.28 113.12 9.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.569 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 t -95.45 120.23 44.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.334 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -101.9 97.7 8.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.474 177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.32 109.81 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.669 0.271 . . . . 0.0 110.617 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 38' ' ' SER . 34.9 t -94.88 99.37 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 56' ' ' ASP . 86.5 mt -52.45 -51.64 58.2 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.408 -175.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 33.7 ttpt -177.91 -70.08 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -152.54 16.81 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.002 0.906 . . . . 0.0 108.707 170.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.465 ' HB3' HD12 ' A' ' 53' ' ' LEU . 7.4 t70 -80.07 -60.58 2.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.297 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -167.5 166.62 14.17 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.101 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.2 m -107.28 121.66 45.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.698 174.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 t -96.26 119.93 44.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -105.71 117.16 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.148 0.499 . . . . 0.0 110.331 177.416 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.595 ' O ' ' HA ' ' A' ' 48' ' ' ASN . 25.8 mt -107.14 107.96 19.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.852 -176.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -83.72 115.55 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 174.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.46 ' HA3' ' HG2' ' A' ' 47' ' ' GLU . . . -80.69 -123.15 0.53 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.729 178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.827 HD12 HD11 ' A' ' 67' ' ' ILE . 86.5 mt -61.91 -80.94 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -176.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -173.13 -59.55 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -173.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -129.01 -89.5 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -169.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.827 HD11 HD12 ' A' ' 64' ' ' LEU . 15.9 mt 61.58 38.25 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.689 0.757 . . . . 0.0 111.133 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.2 t -76.1 94.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.287 0.565 . . . . 0.0 110.043 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 t -130.19 20.98 5.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.277 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.646 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 97.8 t -83.21 129.77 36.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.906 -177.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 102' ' ' LYS . 21.3 mtmm -76.01 142.51 41.84 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 122' ' ' PHE . 23.0 p90 -76.88 50.8 0.74 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.601 0.715 . . . . 0.0 110.345 176.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -143.69 -169.23 3.03 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.297 -173.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HG2' HD21 ' A' ' 127' ' ' LEU . 25.8 mtmm -134.79 81.92 1.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.468 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 8.7 t0 -96.74 87.61 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.899 -171.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -69.83 -31.8 69.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.0 0.429 . . . . 0.0 110.709 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -61.89 -38.82 89.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.183 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 26.0 tp -70.98 -33.77 70.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.462 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.4 mt -61.18 -50.24 81.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.828 0.347 . . . . 0.0 110.194 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -54.68 -49.25 71.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.218 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.2 p -70.55 -33.38 71.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.977 -175.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.51 HG22 ' CD1' ' A' ' 96' ' ' TYR . 80.3 m -66.59 -47.42 72.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.662 0.268 . . . . 0.0 110.815 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.0 m -64.12 -32.86 74.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.696 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.17 -37.68 75.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.083 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.49 -38.75 81.27 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.816 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.17 -42.3 90.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.44 0.638 . . . . 0.0 110.005 176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -71.82 -27.12 62.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.89 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 t -64.88 -70.65 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.526 -177.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 29.1 ttt180 -102.0 -77.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.401 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 10.9 mt-10 179.5 -46.12 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.572 -171.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.2 pt 43.87 -150.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 124.301 1.0 . . . . 0.0 112.129 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 94' ' ' GLN . 24.7 m -133.0 144.09 49.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.423 ' H ' HD21 ' A' ' 23' ' ' LEU . 68.0 t80 -58.58 -31.59 68.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.031 0.443 . . . . 0.0 110.734 -177.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.4 ' H ' HG22 ' A' ' 92' ' ' THR . 52.0 tt0 -63.37 -39.33 94.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.663 178.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.12 -38.48 61.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.056 0.455 . . . . 0.0 110.056 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.51 ' CD1' HG22 ' A' ' 82' ' ' THR . 56.2 t80 -56.09 -48.63 75.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.323 177.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -28.76 63.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.778 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -63.97 -45.58 88.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.979 0.419 . . . . 0.0 110.942 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -73.71 -29.87 62.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.826 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 48.3 mt -63.26 -43.09 98.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.86 0.362 . . . . 0.0 110.253 174.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.646 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -59.96 -42.44 94.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.166 0.507 . . . . 0.0 110.231 176.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 35.9 ttpt -68.96 -12.16 61.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.109 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 75' ' ' ASP . . . -90.48 -8.99 48.99 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.066 0.46 . . . . 0.0 110.558 176.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 105.64 1.25 40.1 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.05 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.436 HG22 HD12 ' A' ' 127' ' ' LEU . 61.1 t -71.66 108.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.246 0.546 . . . . 0.0 109.956 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.505 ' HE1' ' HB3' ' A' ' 45' ' ' ALA . 81.5 t80 -105.38 -25.0 12.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.929 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.604 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 15.3 mtp180 -122.1 98.48 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.948 -177.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.903 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.5 t90 -83.58 100.88 11.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 175.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.8 t -112.7 101.67 12.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.038 0.447 . . . . 0.0 111.001 -175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.624 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 37.5 m -98.6 110.85 23.38 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.538 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.446 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 6.9 m-20 -89.2 98.59 11.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.955 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 51.1 mm -66.96 -29.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -63.11 -16.4 59.86 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.236 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.635 ' HB3' ' HE2' ' A' ' 116' ' ' LYS . 47.6 mt-10 -125.68 -4.23 7.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.699 HE21 HD11 ' A' ' 132' ' ' ILE . 3.8 tp60 57.25 36.85 27.87 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.525 0.516 . . . . 0.0 110.815 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.635 ' HE2' ' HB3' ' A' ' 114' ' ' GLU . 48.3 mtmt -134.11 151.68 51.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.59 ' HD2' ' OH ' ' A' ' 119' ' ' TYR . 35.8 ttm180 -113.63 118.7 35.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.896 0.379 . . . . 0.0 110.382 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -97.88 135.76 39.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.677 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.59 ' OH ' ' HD2' ' A' ' 117' ' ' ARG . 77.1 m-85 -111.72 107.33 16.39 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.604 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 80.2 m-85 -109.36 143.86 38.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.602 ' HB ' HD11 ' A' ' 127' ' ' LEU . 8.9 t -90.06 175.24 7.24 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 171.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 72' ' ' PHE . 38.6 p90 -70.07 -15.81 63.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.249 0.547 . . . . 0.0 110.107 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.05 -5.59 51.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.779 175.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 64.11 16.32 9.91 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.214 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 t -86.94 124.94 33.69 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.21 114.57 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.11 0.481 . . . . 0.0 110.31 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.602 HD11 ' HB ' ' A' ' 121' ' ' THR . 67.3 mt -83.36 -55.17 4.47 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.326 -177.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -151.4 154.96 37.66 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.716 -175.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 46.6 m -134.14 108.0 8.05 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -107.94 114.87 29.11 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.165 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.6 m -69.7 123.48 21.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.644 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.699 HD11 HE21 ' A' ' 115' ' ' GLN . 4.6 pt -73.44 92.01 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.248 0.547 . . . . 0.0 111.653 -175.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 . . . . . 0 N--CA 1.465 0.324 0 CA-C-N 114.438 -1.255 . . . . 0.0 111.832 175.276 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 120.358 0.123 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.665 ' HA ' HD13 ' A' ' 11' ' ' ILE . 8.1 pt20 -68.43 -11.51 59.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 170.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 HD23 ' A' ' 61' ' ' LEU . 60.9 t -54.24 -43.05 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.973 173.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.66 -39.87 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.926 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 8' ' ' GLN . 1.9 mp -60.46 -53.87 42.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.766 178.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.573 ' HB3' HD11 ' A' ' 61' ' ' LEU . 10.6 m-85 -62.36 -42.37 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.279 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HE2' ' HA2' ' A' ' 63' ' ' GLY . 30.1 tttm -67.67 -37.21 82.06 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.581 -177.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.99 -35.47 66.82 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.816 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.459 ' HA ' ' CZ3' ' A' ' 27' ' ' TRP . 53.2 mt -61.09 -49.93 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.498 176.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -68.98 -39.73 79.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.382 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.42 -28.74 69.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -72.07 -49.74 33.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.037 0.446 . . . . 0.0 110.402 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.97 -23.65 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.285 -172.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.576 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 41.0 ptt85 -67.89 -26.58 66.07 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.723 -177.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.432 HD22 ' HA ' ' A' ' 21' ' ' ASN . 5.9 m120 -113.27 -42.64 3.47 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.92 -26.99 30.92 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.199 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt 64.13 29.93 13.93 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.846 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -80.62 76.86 7.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.639 0.733 . . . . 0.0 110.769 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 75.1 m-85 -63.91 -21.73 66.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.919 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -54.95 -49.1 72.19 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.662 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.459 ' CZ3' ' HA ' ' A' ' 15' ' ' ILE . 38.6 t90 -84.29 -35.84 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.333 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.599 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 45.6 t80 -53.47 -55.91 21.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.505 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -69.34 -27.68 65.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.577 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.5 m -65.16 -45.9 83.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.71 0.29 . . . . 0.0 110.712 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.45 -27.56 61.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.497 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 82.0 mt -66.25 -39.53 89.55 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 173.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -76.22 -15.27 60.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.383 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -97.25 -31.68 12.3 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -113.84 -46.82 3.0 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -172.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.411 ' O ' ' HB ' ' A' ' 112' ' ' ILE . 2.0 m-20 -84.62 47.43 1.37 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.558 -173.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.4 t -57.27 -24.96 22.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.064 -173.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.641 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 12.4 t -96.95 -84.29 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.735 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.542 ' HB3' ' HA ' ' A' ' 111' ' ' ASN . 7.1 p-80 -172.43 150.77 2.35 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.23 -0.294 . . . . 0.0 111.116 -177.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.628 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 38.1 p90 -123.72 138.44 54.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.016 0.436 . . . . 0.0 110.507 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 41' ' ' ILE . 4.2 mp -106.75 116.28 50.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.222 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.829 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -102.81 115.03 29.8 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.052 -177.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -95.19 105.2 17.11 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 108' ' ' TRP . 7.1 mp -66.07 -26.25 67.4 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -170.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.99 -13.94 58.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.064 0.459 . . . . 0.0 111.847 -175.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.515 ' HB ' HD22 ' A' ' 48' ' ' ASN . 24.9 m -123.85 -19.19 5.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.353 0.596 . . . . 0.0 110.766 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 26.6 tt0 63.79 28.99 14.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.878 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.515 HD22 ' HB ' ' A' ' 46' ' ' THR . 9.5 p30 -94.65 131.03 40.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 171.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.6 t -112.36 114.4 46.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.157 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -92.66 95.85 9.83 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.701 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.455 HD13 ' HG ' ' A' ' 61' ' ' LEU . 3.5 mp -86.72 104.86 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.006 0.431 . . . . 0.0 110.054 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 38' ' ' SER . 61.2 t -83.38 116.52 27.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 174.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 56' ' ' ASP . 84.0 mt -70.23 178.83 2.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.888 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -42.09 -55.91 3.04 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.036 0.835 . . . . 0.0 111.992 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -156.48 21.95 0.35 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 122.107 0.956 . . . . 0.0 108.51 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' A' ' 53' ' ' LEU . 5.8 m-20 -92.03 -88.0 0.21 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.513 -171.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -154.9 -168.97 3.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.768 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.9 m -110.93 114.49 27.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.05 0.452 . . . . 0.0 111.455 -176.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.27 107.2 18.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.35 114.65 27.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.127 0.489 . . . . 0.0 111.59 -177.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 12' ' ' PHE . 44.9 mt -87.88 116.68 26.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.396 174.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -87.55 113.02 22.86 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 175.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA2' ' HE2' ' A' ' 13' ' ' LYS . . . -74.32 -95.77 0.11 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.434 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.511 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 91.9 mt -100.19 -89.97 0.32 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 64' ' ' LEU . 84.4 tttt 173.24 -64.79 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.312 0.382 . . . . 0.0 111.434 175.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.455 ' C ' HD12 ' A' ' 67' ' ' ILE . 3.7 t-20 -121.43 89.67 3.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -171.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.455 HD12 ' C ' ' A' ' 66' ' ' ASN . 4.2 mp -134.15 91.58 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.373 0.606 . . . . 0.0 109.588 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.7 t -95.73 82.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.296 0.569 . . . . 0.0 110.698 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.2 m -108.63 5.09 24.63 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 40.0 t -91.61 120.29 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.25 -178.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -76.97 155.12 32.9 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.504 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -88.97 11.11 19.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.599 0.714 . . . . 0.0 110.243 176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.1 m -91.03 -173.78 3.78 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.559 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.563 ' HB2' HD21 ' A' ' 127' ' ' LEU . 24.8 pttm -150.21 128.18 11.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.05 0.452 . . . . 0.0 111.05 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -138.32 142.57 39.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.249 172.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -100.42 -14.13 18.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.15 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -75.8 -49.99 16.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.168 -176.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.3 tp -60.75 -39.28 88.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.83 -48.28 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.031 0.444 . . . . 0.0 110.439 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.67 -50.59 73.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.467 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -62.01 -46.05 90.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.511 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.526 HG22 ' HD1' ' A' ' 96' ' ' TYR . 40.4 m -63.25 -39.71 95.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.417 -177.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -67.73 -43.1 80.76 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.921 0.391 . . . . 0.0 111.142 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -64.76 -48.36 74.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.151 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -63.26 -32.19 73.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.211 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.557 ' O ' ' HA ' ' A' ' 90' ' ' GLU . 46.9 tp -56.73 -51.35 69.18 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.202 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 87' ' ' LYS . 24.3 tptp -81.82 -19.52 40.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.115 -176.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.2 m -72.67 -57.89 3.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -91.75 -19.12 22.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.415 . . . . 0.0 110.525 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 22.9 mt-10 57.55 62.05 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.333 -174.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.4 pt -78.58 169.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.31 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -65.03 156.2 32.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.37 0.605 . . . . 0.0 111.849 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.576 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 26.5 t80 -63.57 -23.97 67.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.142 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.24 -43.27 78.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.831 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.8 -42.33 99.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 110.253 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.526 ' HD1' HG22 ' A' ' 82' ' ' THR . 41.6 t80 -60.29 -45.87 91.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.101 178.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -62.13 -48.87 78.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.693 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -61.7 -40.34 94.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.587 -172.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.7 -35.38 75.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.646 0.26 . . . . 0.0 110.836 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.478 HD22 HG21 ' A' ' 105' ' ' VAL . 71.8 mt -63.27 -41.74 99.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.032 0.444 . . . . 0.0 110.417 175.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.524 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -60.11 -39.74 87.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.839 178.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -69.77 -25.77 63.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.095 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.21 -19.2 43.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.73 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.29 16.7 11.75 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.939 177.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.478 HG21 HD22 ' A' ' 100' ' ' LEU . 66.6 t -76.32 100.51 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.106 0.479 . . . . 0.0 109.944 177.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -94.21 -31.31 14.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.75 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.474 ' HG2' HG23 ' A' ' 109' ' ' VAL . 33.0 ttp-105 -128.49 108.5 10.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.471 0.653 . . . . 0.0 110.998 -177.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.829 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.5 t90 -97.44 103.51 15.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.23 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.474 HG23 ' HG2' ' A' ' 107' ' ' ARG . 41.2 t -110.94 94.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.01 0.433 . . . . 0.0 111.189 -175.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.773 HG23 ' HG2' ' A' ' 117' ' ' ARG . 93.8 m -86.92 108.32 18.75 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 175.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.542 ' HA ' ' HB3' ' A' ' 39' ' ' HIS . 41.8 t-20 -99.34 93.86 6.14 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.718 -176.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.411 ' HB ' ' O ' ' A' ' 36' ' ' ASN . 50.9 mm -64.95 -34.77 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.21 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.641 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 52.3 t-80 -62.3 -26.27 68.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.968 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -109.97 -4.01 16.18 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.773 -176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 63.21 37.2 11.42 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.458 178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.413 ' HD2' ' CZ ' ' A' ' 118' ' ' TYR . 76.6 mttt -136.96 158.52 44.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.771 0.319 . . . . 0.0 110.856 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.773 ' HG2' HG23 ' A' ' 110' ' ' THR . 56.3 mtp180 -123.08 102.35 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 172.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.453 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 76.3 m-85 -86.36 137.83 32.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.495 -174.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.423 ' HD2' ' HB3' ' A' ' 128' ' ' PHE . 96.5 m-85 -119.67 109.93 16.23 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.518 176.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.538 ' HB3' ' HA ' ' A' ' 124' ' ' ASN . 97.1 m-85 -111.91 144.54 41.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.492 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.452 HG23 ' H ' ' A' ' 123' ' ' ASP . 9.0 t -89.17 -176.98 5.3 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -56.68 -32.62 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.882 0.373 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.452 ' H ' HG23 ' A' ' 121' ' ' THR . 20.7 t70 -97.52 20.08 12.34 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.494 0.664 . . . . 0.0 110.011 178.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.538 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 25.5 m-20 73.28 -77.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.537 1.135 . . . . 0.0 109.507 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 13.0 t 60.95 -42.33 0.11 Allowed 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 125.401 1.481 . . . . 0.0 114.031 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.1 tp 63.86 81.67 0.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.422 0.63 . . . . 0.0 109.381 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 74' ' ' LYS . 95.9 mt -86.43 -33.95 20.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.002 -175.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.423 ' HB3' ' HD2' ' A' ' 119' ' ' TYR . 0.4 OUTLIER -152.87 154.53 35.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.852 -177.413 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 117' ' ' ARG . 4.5 t -162.87 99.11 0.98 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.643 0.735 . . . . 0.0 110.061 178.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -89.94 127.34 36.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.968 -178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.9 t -91.04 119.51 31.26 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.2 pt -79.54 98.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.591 0.71 . . . . 0.0 110.577 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.774 -176.424 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.581 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 8.7 t0 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.325 0.583 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.88 -29.43 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.989 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.581 ' HB ' ' OD2' ' A' ' 7' ' ' ASP . 66.0 t -63.35 -34.72 68.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.101 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 14' ' ' GLN . 98.3 t -58.03 -50.52 77.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.64 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.532 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mp -58.44 -52.64 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 -177.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.474 ' HA ' HD12 ' A' ' 15' ' ' ILE . 55.2 m-85 -61.57 -41.21 97.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.758 0.313 . . . . 0.0 111.248 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' HA ' HD13 ' A' ' 61' ' ' LEU . 37.4 ttpt -63.89 -40.92 97.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.568 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 10' ' ' VAL . 98.0 mt-30 -60.28 -37.57 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.661 0.267 . . . . 0.0 110.826 177.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 11' ' ' ILE . 82.8 mt -59.04 -58.48 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.681 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.52 ' HA ' HG12 ' A' ' 19' ' ' VAL . 94.6 m-85 -70.23 -32.64 70.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.623 -175.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -67.49 -45.4 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.058 0.456 . . . . 0.0 110.365 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -72.94 -39.86 65.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.448 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 16' ' ' PHE . 10.8 p -66.55 -27.34 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 122.061 -0.399 . . . . 0.0 110.85 -178.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' HG3' ' HD2' ' A' ' 93' ' ' PHE . 54.5 ttp180 -75.98 -10.79 59.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.1 0.476 . . . . 0.0 110.495 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -113.23 -53.0 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.16 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.482 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 19.8 t70 -75.98 -23.39 55.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.872 -176.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt 62.3 34.6 15.75 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.774 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.482 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 51.4 t-20 -88.3 98.34 11.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.757 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.415 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 97.1 m-85 -89.76 -24.63 21.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.413 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -58.15 -50.57 73.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.377 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -74.83 -37.48 62.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.335 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.507 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.9 t80 -50.45 -61.53 2.13 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.144 -175.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -67.94 -29.94 69.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.622 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.508 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 22.3 m -73.09 -37.36 66.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.852 0.358 . . . . 0.0 110.559 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' CD ' HH21 ' A' ' 34' ' ' ARG . 8.3 tp10 -67.92 -41.59 82.4 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.408 0.623 . . . . 0.0 109.758 176.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 93.9 mt -58.05 -42.02 84.54 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.282 175.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -61.92 -28.58 69.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.926 0.393 . . . . 0.0 111.342 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 30' ' ' SER . 52.5 mtm180 -80.19 -22.4 41.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.484 -177.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -121.41 -55.07 1.96 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.005 0.431 . . . . 0.0 111.7 -177.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -79.04 79.84 5.41 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.325 -176.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 113' ' ' HIS . 42.3 t -65.59 -29.59 47.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.86 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 t -106.9 -87.2 0.48 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.409 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -162.07 155.09 20.34 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.426 -0.509 . . . . 0.0 112.127 -171.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.738 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 41.3 p90 -125.75 144.04 50.79 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 172.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.414 HG23 HG22 ' A' ' 109' ' ' VAL . 4.5 mp -107.95 109.36 27.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.988 0.423 . . . . 0.0 110.149 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.79 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 13.1 t80 -94.88 111.53 23.32 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 176.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -85.83 116.02 23.83 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.569 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.46 161.43 29.48 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 74.36 -22.54 0.25 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.708 0.63 . . . . 0.0 112.08 178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.1 p -116.73 -23.53 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 66.87 24.09 9.82 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.924 0.393 . . . . 0.0 110.748 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -94.97 113.08 24.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.893 0.378 . . . . 0.0 110.165 179.334 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.92 121.38 54.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.53 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -108.53 102.26 11.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.854 0.359 . . . . 0.0 110.279 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.5 mp -92.18 109.54 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.714 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.02 109.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 57' ' ' ASN . 36.8 mt -54.61 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.526 0.516 . . . . 0.0 111.241 -174.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 55' ' ' ASN . 85.7 tttt -121.03 -32.81 3.86 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 63.3 t30 155.18 -19.38 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.115 -1.402 . . . . 0.0 107.455 -174.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -71.24 -50.09 36.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.16 -1.382 . . . . 0.0 111.268 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.537 ' HB3' HD12 ' A' ' 53' ' ' LEU . 52.5 t30 -123.73 150.96 43.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.964 0.411 . . . . 0.0 111.202 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 51.3 m -139.11 114.08 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.368 177.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.454 HG13 HG22 ' A' ' 9' ' ' VAL . 19.4 t -105.1 126.05 60.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.8 pt? -110.96 121.96 46.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.05 0.452 . . . . 0.0 111.066 -178.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 13' ' ' LYS . 10.4 mt -102.37 105.73 16.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.019 177.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -90.42 110.74 21.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.879 0.371 . . . . 0.0 110.209 -177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.55 -133.95 4.69 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.942 -0.646 . . . . 0.0 113.704 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -68.2 -23.89 64.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.6 tttm 73.89 -36.11 0.33 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.829 0.852 . . . . 0.0 111.764 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -124.71 93.28 3.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.039 0.447 . . . . 0.0 110.637 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 67' ' ' ILE . 9.0 tp -139.95 19.21 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.169 0.985 . . . . 0.0 108.348 175.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.9 p -54.11 112.52 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 114.277 -1.329 . . . . 0.0 112.339 -173.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 m -134.32 13.04 3.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.057 174.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' A' ' 101' ' ' ALA . 8.3 t -89.83 135.56 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.542 -174.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -115.43 153.88 30.27 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.522 ' HD1' ' HE1' ' A' ' 122' ' ' PHE . 55.8 t80 -69.8 88.82 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.379 0.609 . . . . 0.0 110.28 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 m -125.29 156.91 37.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.489 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -132.99 87.82 2.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -136.08 113.85 11.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.012 0.434 . . . . 0.0 110.492 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HG3' ' HD1' ' A' ' 128' ' ' PHE . 20.3 ttt180 -81.37 -27.21 34.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.946 -178.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -68.02 -44.61 76.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.113 -177.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.515 HD23 ' HB2' ' A' ' 103' ' ' ALA . 44.2 tp -59.83 -41.25 90.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.488 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.3 mt -60.0 -48.89 86.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -53.63 -48.27 69.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.413 0.625 . . . . 0.0 110.536 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 85' ' ' LYS . 20.8 m -65.02 -30.75 71.75 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.992 -177.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.2 m -72.8 -45.36 58.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.544 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -58.97 -42.9 91.05 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.016 0.436 . . . . 0.0 110.265 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.23 -42.84 93.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.406 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 81' ' ' THR . 35.3 ttmt -59.47 -37.92 79.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.129 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 96' ' ' TYR . 55.7 tp -67.31 -51.1 56.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.096 0.474 . . . . 0.0 110.719 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -66.75 -33.89 76.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.521 -174.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.0 m -93.86 -58.7 2.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -84.48 -17.89 37.62 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -170.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 63.12 63.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.47 0.652 . . . . 0.0 110.486 -175.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.453 HG12 ' HA ' ' A' ' 86' ' ' LEU . 35.2 pt -79.69 145.76 8.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.15 171.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -63.97 148.95 48.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.577 0.227 . . . . 0.0 110.845 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.483 ' HD2' ' HG3' ' A' ' 20' ' ' ARG . 47.9 t80 -55.82 -32.81 63.88 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.97 0.414 . . . . 0.0 111.337 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.449 ' HA ' HH21 ' A' ' 97' ' ' ARG . 63.8 tt0 -59.56 -50.56 73.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.608 174.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.25 -34.54 78.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.663 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.477 ' CD1' ' HB2' ' A' ' 86' ' ' LEU . 52.0 t80 -59.03 -48.84 80.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.433 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.449 HH21 ' HA ' ' A' ' 94' ' ' GLN . 66.2 mtm180 -69.75 -29.46 66.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.385 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.02 -41.06 95.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.391 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -38.04 75.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.381 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.32 -37.65 87.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HA ' HG13 ' A' ' 70' ' ' VAL . . . -60.58 -36.3 78.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.637 176.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -70.06 -29.57 66.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.415 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.515 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -81.46 -11.34 59.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.505 -178.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 97.14 20.72 22.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.888 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.9 t -86.1 121.02 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.018 0.437 . . . . 0.0 111.169 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -110.43 -26.28 9.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.875 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.858 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 9.4 mpt_? -109.75 110.98 22.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.321 -178.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.79 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 7.4 t-105 -96.31 90.39 5.43 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 169.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.571 ' HB ' ' HB2' ' A' ' 118' ' ' TYR . 46.9 t -106.47 99.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.063 0.458 . . . . 0.0 110.375 -176.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.738 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 52.1 m -95.54 110.7 22.74 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -102.66 111.86 24.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.513 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 47.3 mm -76.73 -33.7 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.386 -175.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 59.3 t-80 -62.14 -44.94 95.51 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.194 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -85.89 -11.78 52.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.915 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 58.4 44.88 17.57 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.487 0.492 . . . . 0.0 110.3 -176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -140.32 139.65 35.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.218 -175.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.576 ' HG2' HG23 ' A' ' 110' ' ' THR . 68.4 mtm180 -105.34 110.16 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.617 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.571 ' HB2' ' HB ' ' A' ' 109' ' ' VAL . 70.1 m-85 -92.45 129.07 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.671 -176.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.402 ' HE2' ' HG2' ' A' ' 130' ' ' GLU . 77.6 m-85 -110.59 105.33 14.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.214 176.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.858 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 74.0 m-85 -106.27 150.52 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.365 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.452 HG23 ' H ' ' A' ' 123' ' ' ASP . 10.2 t -88.05 -178.73 6.05 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.522 ' HE1' ' HD1' ' A' ' 72' ' ' PHE . 34.5 p90 -67.57 -19.64 65.29 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.24 0.543 . . . . 0.0 110.684 -176.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' ' 124' ' ' ASN . 12.1 t70 -71.87 -18.08 62.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.975 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 123' ' ' ASP . 89.1 m-20 76.95 15.46 1.91 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.782 -174.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 49.5 m -71.33 131.66 43.75 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.319 171.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 53.9 tp -77.22 105.76 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 110.151 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.1 mt -81.58 -44.55 17.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.373 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.436 ' HD1' ' HG3' ' A' ' 76' ' ' ARG . 33.8 t80 -151.38 143.77 24.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.9 t -138.2 111.26 7.83 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 128' ' ' PHE . 7.3 pt-20 -106.89 129.02 54.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 -177.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 m -80.67 113.77 19.1 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 8.8 pt -63.82 114.96 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.556 0.693 . . . . 0.0 111.0 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.425 ' OE1' ' HA ' ' A' ' 133' ' ' GLN . 8.8 mm-40 . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.126 -176.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.151 0.501 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.469 ' HA ' HD13 ' A' ' 11' ' ' ILE . 5.2 tp-100 -65.0 -26.44 68.29 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.371 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.444 HG13 HD23 ' A' ' 61' ' ' LEU . 79.1 t -59.18 -36.64 64.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.873 0.368 . . . . 0.0 110.481 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.91 -36.74 77.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.602 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.485 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.0 mp -67.87 -55.46 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.785 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.479 ' HB3' HD11 ' A' ' 61' ' ' LEU . 43.5 m-85 -67.85 -40.46 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HA ' HD13 ' A' ' 61' ' ' LEU . 54.5 tttm -64.23 -38.3 90.55 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.129 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 8.5 tt0 -62.82 -31.58 72.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.465 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 11' ' ' ILE . 66.9 mt -65.95 -55.94 17.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.754 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.625 ' O ' ' HG3' ' A' ' 20' ' ' ARG . 69.5 m-85 -64.24 -45.38 88.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.151 -178.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.659 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -63.1 -26.46 68.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 111.296 179.572 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 21.3 ttmm -71.45 -49.46 41.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.883 0.373 . . . . 0.0 110.594 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 16' ' ' PHE . 9.6 p -67.13 -20.89 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.37 -174.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.659 ' HE ' ' HA ' ' A' ' 17' ' ' ASP . 81.0 mtt-85 -58.12 -34.23 70.0 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.935 0.398 . . . . 0.0 110.887 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -116.32 -38.77 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.588 -173.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.499 ' OD2' ' HB2' ' A' ' 24' ' ' ASN . 25.5 t70 -82.55 -28.82 30.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.278 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.7 mt 61.16 32.2 19.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.794 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.499 ' HB2' ' OD2' ' A' ' 22' ' ' ASP . 54.2 t-20 -80.61 90.42 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 174.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -78.08 -27.01 48.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.635 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.35 -55.1 37.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.373 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -70.01 -32.1 70.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.064 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.447 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 75.3 t80 -59.01 -54.08 51.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.617 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -67.02 -35.28 79.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.057 178.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.483 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 22.6 t -61.02 -44.95 96.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.751 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -73.01 -33.66 65.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 77.6 mt -62.22 -44.51 96.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 175.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -72.0 -20.3 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.201 -176.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 30' ' ' SER . 46.7 mtm180 -100.37 -8.53 23.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -131.4 -52.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.49 ' ND2' ' HD2' ' A' ' 40' ' ' TYR . 39.2 t30 -85.78 87.08 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.354 0.597 . . . . 0.0 109.992 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -74.76 -32.33 28.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.565 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.6 p -101.25 -83.26 0.45 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.128 -177.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -164.77 152.16 11.4 Favored 'General case' 0 C--N 1.333 -0.132 0 O-C-N 122.048 -0.407 . . . . 0.0 111.622 -170.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.707 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 42.7 p90 -128.72 147.27 50.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.111 175.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.78 113.1 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.09 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.794 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 0.3 OUTLIER -99.82 109.59 21.99 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.01 -178.518 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -86.52 104.11 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 174.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 108' ' ' TRP . 5.8 mp -63.87 -38.35 90.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.08 -173.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.776 ' HA ' HG12 ' A' ' 68' ' ' VAL . . . -68.06 -44.11 77.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 p -97.32 -5.52 36.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -175.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' HB3' ' H ' ' A' ' 64' ' ' LEU . 13.8 tp10 61.92 43.06 9.57 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 122.04 0.924 . . . . 0.0 109.378 -176.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -110.07 111.76 23.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.518 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 t -105.69 115.61 47.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.254 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -103.48 99.26 9.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.603 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.14 108.64 20.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.81 0.338 . . . . 0.0 111.048 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.71 109.24 20.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.86 -75.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.244 0.545 . . . . 0.0 111.584 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -146.66 -70.89 0.24 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -145.11 10.02 1.29 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.801 174.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.85 -73.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.5 -175.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -157.69 178.02 10.73 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.973 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.0 m -113.99 111.97 22.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.226 175.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.16 109.91 17.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.753 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.5 pt? -98.26 111.51 23.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.334 0.587 . . . . 0.0 111.072 -178.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 13' ' ' LYS . 19.4 mt -98.88 106.12 18.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.51 178.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -102.98 98.82 8.72 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.34 0.591 . . . . 0.0 110.663 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.0 -48.56 6.46 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.847 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.457 ' H ' ' HB3' ' A' ' 47' ' ' GLU . 13.4 tp 56.38 28.96 14.32 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.2 0.6 . . . . 0.0 111.993 177.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -90.7 94.2 9.58 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.72 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 t30 70.45 100.13 0.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.001 0.813 . . . . 0.0 111.023 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 45' ' ' ALA . 3.3 mp -73.51 119.35 20.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.203 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.776 HG12 ' HA ' ' A' ' 45' ' ' ALA . 8.3 p -85.41 152.56 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.017 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -93.01 108.49 20.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.052 0.453 . . . . 0.0 111.08 -175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 106' ' ' PHE . 62.0 t -87.59 114.58 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 174.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -95.69 157.72 15.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.487 -174.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -83.19 65.17 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.417 0.627 . . . . 0.0 109.893 174.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.1 m -144.08 91.92 2.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.013 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 103' ' ' ALA . 56.2 pttt -91.9 125.57 36.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.215 -170.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -146.7 130.85 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.71 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -79.24 -28.65 42.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.224 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -68.34 -37.04 80.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.295 -173.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.54 HD23 ' HB2' ' A' ' 103' ' ' ALA . 43.2 tp -62.21 -48.84 78.23 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.72 -47.68 85.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.326 0.584 . . . . 0.0 110.172 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.34 -54.8 41.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.948 178.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.5 m -61.07 -39.48 90.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.5 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.562 HG21 ' HB2' ' A' ' 99' ' ' ASN . 26.1 m -67.72 -34.31 76.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.735 0.303 . . . . 0.0 110.923 -179.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.6 m -67.32 -39.4 85.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.45 . . . . 0.0 110.079 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -67.72 -37.48 82.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.332 175.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -62.56 -44.09 97.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.959 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.558 ' HA ' HG12 ' A' ' 91' ' ' ILE . 47.0 tp -64.25 -44.58 91.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.774 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -68.08 -48.0 66.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.46 -177.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.3 m -79.41 -46.49 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -173.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -100.4 -7.37 24.43 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.679 -172.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 73.4 -46.2 0.63 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.455 0.702 . . . . 0.0 111.429 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.558 HG12 ' HA ' ' A' ' 86' ' ' LEU . 36.0 pt 39.39 -131.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.124 0.97 . . . . 0.0 112.483 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.1 m -145.39 151.12 37.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CE2' ' HD3' ' A' ' 97' ' ' ARG . 47.0 t80 -56.9 -31.63 65.09 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.799 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' A' ' 98' ' ' ARG . 2.4 mp0 -59.47 -52.61 64.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.182 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -56.17 -44.02 78.92 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.321 0.388 . . . . 0.0 111.501 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.485 ' HD1' HG22 ' A' ' 82' ' ' THR . 37.5 t80 -56.71 -42.34 78.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.407 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.418 ' HD3' ' CE2' ' A' ' 93' ' ' PHE . 49.4 mtm180 -77.0 -34.84 57.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.576 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 17.5 mmt85 -59.47 -43.16 93.29 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.213 0.53 . . . . 0.0 110.557 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.562 ' HB2' HG21 ' A' ' 82' ' ' THR . 6.9 m-20 -72.77 -35.39 67.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.205 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.38 -47.19 83.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.329 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.78 71.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.215 0.531 . . . . 0.0 110.427 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -71.61 -21.07 61.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.484 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.54 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . -96.26 0.71 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 121' ' ' THR . . . 100.34 6.5 53.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.287 176.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.3 t -78.36 104.64 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.491 . . . . 0.0 110.506 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.54 ' HB2' HG11 ' A' ' 70' ' ' VAL . 87.5 t80 -104.18 -30.35 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.725 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 70.6 mtp85 -116.48 99.11 6.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.153 -178.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.794 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 2.4 t90 -91.78 94.34 9.3 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 175.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 41.6 t -103.58 100.38 10.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.823 0.344 . . . . 0.0 110.57 -178.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.707 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 36.8 m -90.76 118.34 30.1 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -101.82 104.13 14.87 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.114 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 50.5 mm -70.97 -32.5 48.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.354 -176.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -62.15 -33.82 75.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.048 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -94.95 -15.05 23.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.62 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.544 ' HG3' HG13 ' A' ' 132' ' ' ILE . 0.0 OUTLIER 68.69 31.81 4.43 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.518 179.654 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -136.2 147.72 47.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.165 0.507 . . . . 0.0 111.803 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -95.56 135.17 37.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 170.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -116.67 110.96 19.16 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.834 0.349 . . . . 0.0 110.314 176.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -93.94 106.15 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.725 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 97.7 m-85 -101.68 138.54 38.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.237 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.564 ' HB ' HD11 ' A' ' 127' ' ' LEU . 1.6 t -69.83 172.24 7.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.121 173.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.95 -34.85 73.81 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -82.54 10.03 8.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.021 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 65.4 t30 61.6 85.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.796 0.838 . . . . 0.0 111.76 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 120' ' ' TYR . 22.9 t -157.36 142.12 16.71 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.496 HD11 ' HB ' ' A' ' 129' ' ' THR . 48.2 tp -72.38 99.31 2.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.992 0.425 . . . . 0.0 111.085 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.564 HD11 ' HB ' ' A' ' 121' ' ' THR . 33.9 mt -78.43 -45.92 21.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.344 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -149.4 141.13 23.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.056 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.496 ' HB ' HD11 ' A' ' 126' ' ' LEU . 15.3 t -135.0 142.59 46.47 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -141.8 142.33 33.2 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.2 m -92.32 125.27 36.91 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.328 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.544 HG13 ' HG3' ' A' ' 115' ' ' GLN . 12.5 pt -75.01 98.89 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.134 0.492 . . . . 0.0 110.428 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.058 -175.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 120.834 0.35 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -65.02 -27.15 68.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.03 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.17 -40.28 76.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.309 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.73 -41.85 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.186 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.8 mp -64.58 -49.28 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.587 178.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.412 ' CZ ' HD21 ' A' ' 53' ' ' LEU . 7.0 m-85 -64.58 -41.61 96.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.62 ' O ' ' HB2' ' A' ' 17' ' ' ASP . 7.7 ttpp -71.04 -18.57 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.109 -0.637 . . . . 0.0 109.8 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -76.57 -39.47 52.58 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.735 ' HA ' ' HZ2' ' A' ' 27' ' ' TRP . 88.6 mt -58.77 -55.67 21.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.672 176.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -64.72 -30.18 71.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.195 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.62 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 5.6 t70 -74.26 -39.99 62.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.819 0.342 . . . . 0.0 110.376 -179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -50.28 72.09 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.244 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.49 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 13.0 p -74.43 -25.48 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -63.09 -41.59 99.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.586 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -102.37 -26.78 13.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -94.87 -25.44 16.59 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.811 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD11 ' HA ' ' A' ' 92' ' ' THR . 53.2 mt 66.51 27.67 9.66 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.419 0.628 . . . . 0.0 111.085 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.49 ' OD1' ' HA ' ' A' ' 19' ' ' VAL . 16.8 p-10 -86.29 64.56 8.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.336 177.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -58.63 -24.43 61.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.258 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -40.82 77.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.415 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.735 ' HZ2' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -71.72 -35.49 70.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.367 0.603 . . . . 0.0 110.082 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -75.85 -43.54 45.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.046 -163.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -67.86 -31.17 70.8 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.255 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.528 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 20.4 t -76.82 -38.94 52.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -56.94 -52.17 66.27 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.652 176.231 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.0 mt -56.88 -47.35 80.69 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.163 177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 37' ' ' VAL . 78.7 tttt -60.85 -24.51 65.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 0.0 111.468 -174.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 30' ' ' SER . 75.9 mtp180 -75.08 -47.08 30.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.246 0.546 . . . . 0.0 110.848 177.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' HB3' ' HZ ' ' A' ' 12' ' ' PHE . 44.8 m80 -100.77 -64.1 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.256 -173.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -87.22 80.19 8.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.327 0.584 . . . . 0.0 110.456 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.477 HG21 ' HD3' ' A' ' 54' ' ' LYS . 5.9 t -85.41 -1.57 7.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.999 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.527 ' HA ' ' HB2' ' A' ' 113' ' ' HIS . 14.5 t -103.11 -81.7 0.5 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.791 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -176.52 146.08 0.59 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.507 0.194 . . . . 0.0 110.848 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.61 ' CE2' ' HB ' ' A' ' 110' ' ' THR . 27.1 p90 -118.83 134.19 55.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 172.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.533 HG23 HG22 ' A' ' 109' ' ' VAL . 55.6 mt -102.4 106.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.765 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.616 ' HB3' ' CD1' ' A' ' 108' ' ' TRP . 0.4 OUTLIER -95.82 118.86 33.27 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.817 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -92.94 104.89 17.08 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.578 ' CD2' ' HG3' ' A' ' 97' ' ' ARG . 9.7 mt -57.49 -47.32 82.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -173.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.58 ' HB3' ' HE1' ' A' ' 106' ' ' PHE . . . -72.18 -32.98 67.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -176.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.443 HG22 HD22 ' A' ' 48' ' ' ASN . 3.7 m -87.71 -15.51 36.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.839 0.352 . . . . 0.0 111.559 -176.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 61.62 19.76 10.71 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.612 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.443 HD22 HG22 ' A' ' 46' ' ' THR . 9.8 m-80 -109.88 133.07 53.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.479 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 3.3 t -113.91 121.85 66.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.324 -176.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -102.52 99.34 9.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.809 0.338 . . . . 0.0 110.092 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.563 HG13 ' HB2' ' A' ' 40' ' ' TYR . 4.7 mp -93.82 101.81 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.083 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 38' ' ' SER . 22.6 t -88.95 107.05 17.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 60.9 mt -74.0 166.4 23.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.928 -177.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HD3' HG21 ' A' ' 37' ' ' VAL . 24.7 pttm -64.14 -22.44 66.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.047 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.47 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 66.4 t30 -93.22 22.94 4.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.262 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 9.7 t70 76.47 -36.75 0.27 Allowed 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.66 174.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -55.21 126.81 26.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.035 0.445 . . . . 0.0 110.94 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 32.2 m -106.22 122.05 45.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.759 -178.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.8 t -94.17 132.99 36.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.645 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 58.5 tp -112.75 109.27 18.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.761 0.315 . . . . 0.0 110.795 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.486 HD22 ' HB2' ' A' ' 13' ' ' LYS . 25.5 mt -98.75 158.18 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.508 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.37 126.03 44.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.876 176.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.78 -84.62 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.919 173.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.0 mt -123.59 -60.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.766 -0.255 . . . . 0.0 111.088 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 66' ' ' ASN . 21.8 pttm -161.2 -53.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.555 0.217 . . . . 0.0 111.504 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.471 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 7.7 t30 168.53 131.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -174.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 67' ' ' ILE . 9.4 tp -133.15 96.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 122.201 1.001 . . . . 0.0 110.601 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 p -85.71 28.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.764 0.792 . . . . 0.0 111.207 -174.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 m -81.61 -7.25 59.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.726 177.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.45 HG22 ' HB1' ' A' ' 101' ' ' ALA . 73.3 t -70.16 117.69 13.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.031 177.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.551 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 75.3 mmtt -91.87 158.55 16.24 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.506 -176.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -80.63 75.41 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.5 m -119.07 174.92 6.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.387 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -139.71 35.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.659 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 79' ' ' ILE . 2.6 m-20 -76.41 77.89 3.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.698 -175.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -65.26 -32.87 74.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.627 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -66.07 -32.83 74.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.439 177.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 39.6 tp -72.02 -37.08 69.84 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 75' ' ' ASP . 67.6 mt -60.15 -48.24 88.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.997 174.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -55.2 -49.94 70.66 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.663 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.6 m -60.23 -40.92 91.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.06 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.427 HG21 ' HG ' ' A' ' 100' ' ' LEU . 52.4 m -65.2 -48.65 72.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.631 -0.258 . . . . 0.0 111.5 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.402 ' HA ' ' HE1' ' A' ' 96' ' ' TYR . 10.6 t -63.91 -41.82 97.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.077 0.465 . . . . 0.0 110.191 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -64.89 -39.14 93.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HG2' HG21 ' A' ' 91' ' ' ILE . 35.0 ttpt -64.81 -36.74 85.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.687 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' ' 91' ' ' ILE . 56.9 tp -68.73 -48.18 64.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.987 0.422 . . . . 0.0 109.967 175.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -57.28 -32.69 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.461 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -92.78 -58.44 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.199 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -97.72 -2.4 41.33 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -168.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 56.77 51.3 11.1 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.668 0.27 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.569 HG12 ' HA ' ' A' ' 86' ' ' LEU . 36.4 pt -67.17 155.82 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 -177.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.569 ' HA ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -61.93 157.39 18.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.124 -179.655 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -60.53 -28.67 68.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.349 0.595 . . . . 0.0 109.49 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -59.37 -55.38 35.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.573 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.58 -43.77 89.56 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.2 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.402 ' HE1' ' HA ' ' A' ' 83' ' ' SER . 38.0 t80 -60.11 -56.76 17.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.789 -178.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.578 ' HG3' ' CD2' ' A' ' 44' ' ' LEU . 33.2 ttt180 -64.55 -37.49 87.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.907 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 98' ' ' ARG . 23.5 ttt180 -60.33 -49.33 78.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.813 0.34 . . . . 0.0 111.794 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -69.48 -32.1 70.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.993 -176.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.427 ' HG ' HG21 ' A' ' 82' ' ' THR . 96.0 mt -67.51 -38.53 84.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.936 0.398 . . . . 0.0 110.594 177.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.45 ' HB1' HG22 ' A' ' 70' ' ' VAL . . . -61.94 -39.89 93.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.017 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -70.65 -25.16 62.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.786 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 75' ' ' ASP . . . -70.41 -13.81 62.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.48 -177.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 101.56 10.0 42.29 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.395 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.9 t -80.05 116.74 24.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.925 0.393 . . . . 0.0 110.098 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.58 ' HE1' ' HB3' ' A' ' 45' ' ' ALA . 86.0 t80 -100.89 -31.43 11.15 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.833 ' HB2' ' HB2' ' A' ' 120' ' ' TYR . 98.1 mtt180 -119.43 102.77 8.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.221 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.664 ' H ' ' HD1' ' A' ' 108' ' ' TRP . 0.1 OUTLIER -104.53 101.73 11.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.28 1.038 . . . . 0.0 108.573 168.249 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.533 HG22 HG23 ' A' ' 41' ' ' ILE . 22.4 t -109.67 114.51 47.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.014 -1.448 . . . . 0.0 110.156 -172.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.61 ' HB ' ' CE2' ' A' ' 40' ' ' TYR . 17.6 m -96.54 104.09 16.04 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.09 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.425 ' OD1' HG12 ' A' ' 109' ' ' VAL . 3.9 m-20 -91.73 106.12 18.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.269 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.95 -35.26 68.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.527 ' HB2' ' HA ' ' A' ' 38' ' ' SER . 51.4 t-80 -63.42 -33.72 76.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.079 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.01 -9.06 23.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.701 -178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.497 HE21 HG13 ' A' ' 132' ' ' ILE . 5.7 tp60 62.4 29.91 17.26 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.926 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -139.13 144.16 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.96 0.409 . . . . 0.0 111.384 -176.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.527 ' HB3' ' HB3' ' A' ' 130' ' ' GLU . 24.8 ttm-85 -101.74 112.94 25.7 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 172.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . 80.4 m-85 -91.83 123.15 34.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.489 ' CZ ' ' HD2' ' A' ' 117' ' ' ARG . 95.1 m-85 -102.38 104.62 15.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.938 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.833 ' HB2' ' HB2' ' A' ' 107' ' ' ARG . 94.6 m-85 -106.33 141.12 38.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.402 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.577 ' HB ' HD11 ' A' ' 127' ' ' LEU . 15.0 t -79.11 179.38 7.4 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 172.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.79 -37.75 82.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.934 0.397 . . . . 0.0 110.78 -177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -87.56 42.09 1.02 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 -176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 49.84 21.94 0.77 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.692 1.197 . . . . 0.0 113.56 172.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.446 ' HB2' HG22 ' A' ' 121' ' ' THR . 16.0 m -95.25 132.4 40.26 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 122.199 -0.313 . . . . 0.0 110.576 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 66.0 tp -72.96 113.97 10.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.34 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.577 HD11 ' HB ' ' A' ' 121' ' ' THR . 91.1 mt -91.03 -61.3 1.7 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.144 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -133.52 148.0 51.64 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.85 0.357 . . . . 0.0 110.715 -174.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 21.7 m -123.55 109.83 14.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.69 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 117' ' ' ARG . 33.8 tt0 -99.4 105.65 17.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.29 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.2 m -78.98 108.49 12.5 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.528 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.497 HG13 HE21 ' A' ' 115' ' ' GLN . 14.5 pt -80.01 81.59 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.522 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.954 -177.735 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.035 0.445 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.448 ' OE1' HG22 ' A' ' 59' ' ' VAL . 36.8 tt0 -51.99 -33.11 36.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.665 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.9 -39.57 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.49 ' HA ' ' HG2' ' A' ' 13' ' ' LYS . 92.5 t -65.52 -43.38 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.146 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.531 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.1 mp -57.88 -51.97 63.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.295 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.543 ' HB2' HD21 ' A' ' 61' ' ' LEU . 56.0 m-85 -68.79 -44.1 74.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.412 . . . . 0.0 112.029 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.553 ' HA ' HD13 ' A' ' 61' ' ' LEU . 54.2 pttt -65.6 -30.74 71.51 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.594 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 9.4 tt0 -71.29 -32.33 68.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.581 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 11' ' ' ILE . 72.4 mt -62.46 -48.32 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.037 0.446 . . . . 0.0 110.177 176.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -70.58 -30.21 66.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.832 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.478 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 29.6 t70 -67.65 -39.32 84.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.121 0.486 . . . . 0.0 110.811 178.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 14' ' ' GLN . 28.8 mmmt -67.57 -44.49 78.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.309 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.85 -27.86 31.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.845 -175.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.556 ' HA ' ' HB3' ' A' ' 93' ' ' PHE . 39.2 ptt180 -79.17 -17.84 54.19 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.171 -178.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.401 ' OD1' ' HG3' ' A' ' 20' ' ' ARG . 6.5 m-20 -109.28 -44.72 3.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.494 -178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.32 -20.28 19.27 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.303 -174.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt 62.38 33.14 16.54 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.483 0.49 . . . . 0.0 111.24 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -83.51 77.75 9.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.684 0.754 . . . . 0.0 110.348 177.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -66.89 -31.05 71.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.054 -175.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -61.45 -49.5 76.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.528 0.204 . . . . 0.0 110.949 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -69.69 -31.01 68.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.223 0.535 . . . . 0.0 110.197 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.602 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 43.5 t80 -67.59 -51.56 48.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.402 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -60.19 -43.13 96.16 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.675 0.274 . . . . 0.0 111.702 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 6.3 p -65.68 -40.06 91.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.269 -176.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -70.9 -30.68 67.09 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.449 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 28' ' ' PHE . 83.3 mt -63.24 -45.83 89.74 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 175.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HA ' HG21 ' A' ' 112' ' ' ILE . 2.0 tmtp? -64.74 -30.36 71.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 -178.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 30' ' ' SER . 47.2 mtp180 -75.62 -31.71 59.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.975 -177.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -121.71 -48.31 2.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -170.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -81.92 36.31 0.45 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.446 0.298 . . . . 0.0 110.903 -175.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.608 ' HB ' ' HB2' ' A' ' 54' ' ' LYS . 17.7 t -51.33 -37.74 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.134 -172.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' A' ' 52' ' ' VAL . 39.4 m -77.35 -81.26 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.556 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -172.79 149.57 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.461 0.172 . . . . 0.0 110.575 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.627 ' CE1' ' HB ' ' A' ' 110' ' ' THR . 52.5 p90 -118.13 137.19 53.12 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 174.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.52 ' HB ' ' HB2' ' A' ' 50' ' ' HIS . 63.6 mt -104.01 109.78 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.282 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.672 ' HB3' ' HB3' ' A' ' 108' ' ' TRP . 2.2 t80 -100.62 125.85 47.06 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.929 -177.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.431 ' HD2' ' HB2' ' A' ' 48' ' ' ASN . 25.6 m-85 -99.07 112.58 24.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 97' ' ' ARG . 56.2 mt -71.03 -3.31 18.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.213 -174.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.87 -61.01 1.72 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.737 0.303 . . . . 0.0 111.481 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 p -94.53 -6.4 43.84 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -174.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.654 ' HB2' HD13 ' A' ' 67' ' ' ILE . 33.1 tt0 64.61 33.3 10.82 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.961 0.886 . . . . 0.0 109.438 -177.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' HB2' ' HD2' ' A' ' 43' ' ' TYR . 11.2 m120 -96.16 138.45 33.75 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 t -129.71 128.76 65.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.832 0.349 . . . . 0.0 110.952 -176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.52 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 40.6 m-70 -103.01 99.34 9.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.029 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 59' ' ' VAL . 4.3 mp -90.69 97.27 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.902 0.382 . . . . 0.0 110.081 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.522 ' O ' ' HB2' ' A' ' 38' ' ' SER . 20.8 t -82.74 113.93 22.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.0 mt -71.13 170.38 13.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.146 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.608 ' HB2' ' HB ' ' A' ' 37' ' ' VAL . 8.7 ttpp -84.05 13.23 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 64.4 t30 -138.15 48.56 1.97 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.278 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 55' ' ' ASN . 7.3 t70 78.23 -45.08 0.41 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 167.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -68.65 144.02 54.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.893 0.378 . . . . 0.0 111.453 -176.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.7 m -122.97 129.53 51.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 51' ' ' ILE . 19.1 t -93.47 119.17 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.016 178.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 tp -100.83 109.2 21.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.091 0.472 . . . . 0.0 111.129 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 13' ' ' LYS . 74.5 mt -93.18 142.6 27.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.973 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -129.29 101.17 5.87 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.315 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.59 -61.44 3.85 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 109.696 -1.361 . . . . 0.0 109.696 168.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 tp 59.59 29.17 18.71 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 123.093 0.557 . . . . 0.0 111.692 169.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -99.45 12.63 35.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 64.77 98.37 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.018 177.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.654 HD13 ' HB2' ' A' ' 47' ' ' GLU . 3.0 mp -108.23 -55.8 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 172.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.2 t 42.62 66.64 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.462 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.9 m -105.35 3.28 29.64 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.046 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 44.2 t -76.33 122.92 31.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.084 -175.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.474 ' O ' ' HA2' ' A' ' 104' ' ' GLY . 65.8 mmtt -104.27 159.56 15.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.012 175.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -79.63 78.62 6.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.6 m -141.55 177.58 8.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.623 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -149.82 32.25 0.7 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.618 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -87.66 131.08 34.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.554 -172.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -90.83 -16.22 28.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.906 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -67.71 -49.6 61.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.073 -177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.4 tp -63.22 -32.23 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.616 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.61 -52.84 56.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.211 0.529 . . . . 0.0 109.813 174.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.8 -37.57 84.86 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.018 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 m -65.26 -45.11 85.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.695 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 37.2 m -69.08 -31.91 70.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.136 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -62.77 -47.64 82.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.076 0.465 . . . . 0.0 109.894 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -68.1 -30.3 69.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.825 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -61.0 -48.47 81.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.117 177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 90' ' ' GLU . 26.0 tp -62.92 -38.68 91.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.423 177.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -67.42 -47.46 70.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.009 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.5 t -82.5 -51.42 7.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.922 -174.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -96.6 -12.38 24.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -172.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.498 ' O ' HD12 ' A' ' 86' ' ' LEU . 36.6 tt0 72.48 -51.23 0.7 Allowed 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.756 0.66 . . . . 0.0 111.461 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 32.4 pt 46.79 -164.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 124.649 1.18 . . . . 0.0 112.767 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.0 m -105.42 147.27 28.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.891 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.556 ' HB3' ' HA ' ' A' ' 20' ' ' ARG . 66.2 t80 -56.94 -34.14 67.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.209 0.528 . . . . 0.0 110.422 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.546 ' HG3' HH21 ' A' ' 97' ' ' ARG . 59.3 tt0 -60.01 -44.24 94.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.791 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -71.34 -35.6 71.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.49 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -56.67 -50.03 73.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.311 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.546 HH21 ' HG3' ' A' ' 94' ' ' GLN . 72.1 mtm180 -60.06 -42.07 93.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 60.8 mtp180 -53.87 -57.98 8.93 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.037 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -72.91 -23.57 60.72 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -172.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.72 -40.81 76.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.085 0.469 . . . . 0.0 109.908 173.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . -68.31 -33.42 74.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.664 177.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 98' ' ' ARG . 74.6 mmtt -62.85 -22.72 66.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.066 177.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.34 -11.65 59.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 71' ' ' LYS . . . 109.33 3.11 31.2 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.777 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.23 121.45 33.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.027 0.441 . . . . 0.0 110.385 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.581 ' HB3' ' HA ' ' A' ' 122' ' ' PHE . 69.0 t80 -118.21 -27.31 6.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.901 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 1.063 ' HB3' ' HB2' ' A' ' 120' ' ' TYR . 2.3 tpp180 -109.18 95.44 5.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.263 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.672 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . 1.1 t90 -88.9 102.94 15.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.496 HG23 ' HG3' ' A' ' 107' ' ' ARG . 66.5 t -117.2 111.98 37.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.771 0.32 . . . . 0.0 110.587 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.627 ' HB ' ' CE1' ' A' ' 40' ' ' TYR . 29.1 m -108.6 113.18 25.96 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.071 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -89.24 105.7 17.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.537 HG21 ' HA ' ' A' ' 33' ' ' LYS . 49.8 mm -73.87 -28.3 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.503 -175.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.518 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 16.4 t-80 -66.8 -34.26 77.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.225 -179.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -96.39 -7.44 35.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.754 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 55.12 43.64 29.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.479 0.657 . . . . 0.0 109.332 -171.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.48 ' HE2' HG21 ' A' ' 129' ' ' THR . 75.1 tttt -131.43 121.58 24.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.651 -168.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -101.11 120.43 40.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.933 0.397 . . . . 0.0 110.571 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.416 ' OH ' ' HD3' ' A' ' 116' ' ' LYS . 84.4 m-85 -102.7 142.41 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.81 -178.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.465 ' CD1' ' HB3' ' A' ' 128' ' ' PHE . 96.2 m-85 -117.87 112.86 20.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.237 175.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 1.063 ' HB2' ' HB3' ' A' ' 107' ' ' ARG . 95.9 m-85 -113.42 142.8 45.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.285 0.365 . . . . 0.0 110.68 177.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.462 ' HB ' HD11 ' A' ' 127' ' ' LEU . 15.3 t -72.07 -179.02 2.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.502 175.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.581 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 35.1 p90 -60.32 -29.72 69.05 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -176.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.402 ' H ' HG23 ' A' ' 121' ' ' THR . 28.2 t70 -87.81 2.98 49.96 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 110.316 179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 120' ' ' TYR . 5.1 t30 66.14 71.7 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.526 -177.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 120' ' ' TYR . 15.1 m -131.78 139.42 48.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.782 175.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.419 HD11 ' OG1' ' A' ' 129' ' ' THR . 29.6 tp -71.14 115.23 10.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.117 0.485 . . . . 0.0 111.291 -173.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.462 HD11 ' HB ' ' A' ' 121' ' ' THR . 94.0 mt -101.49 -46.77 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.708 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.465 ' HB3' ' CD1' ' A' ' 119' ' ' TYR . 20.9 t80 -141.95 149.03 39.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.48 HG21 ' HE2' ' A' ' 116' ' ' LYS . 9.4 m -145.11 117.85 8.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.696 0.284 . . . . 0.0 110.273 177.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -132.01 134.59 45.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 116' ' ' LYS . 70.3 m -80.13 127.58 32.49 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.5 pt -82.47 95.87 3.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.342 0.592 . . . . 0.0 111.543 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.279 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.134 176.708 . . . . . . . . 1 1 . 1 stop_ save_